logo

OR SEARCH CITATIONS

My Activity
Recently Viewed
You have not visited any articles yet, Please visit some articles to see contents here.
Publications
CONTENT TYPES

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:Acc. Chem. Res. 2010, 43, 1, 92-102
RETURN TO ISSUEPREVArticleNEXT

Endohedral Metal Atoms in Pristine and Functionalized Fullerene Cages

View Author Information
Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan, and Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, Aichi 444-8585, Japan
* To whom correspondence should be addressed. E-mail: [email protected] (T.A.); [email protected] (S.N.).
Cite this: Acc. Chem. Res. 2010, 43, 1, 92–102
Publication Date (Web):September 3, 2009
https://doi.org/10.1021/ar900140n
Copyright © 2009 American Chemical Society
RIGHTS & PERMISSIONS
Article Views
2899
Altmetric
-
Citations
197
LEARN ABOUT THESE METRICS

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.

Read OnlinePDF (5 MB)
Get e-Alerts
SUBJECTS:

Abstract

Fullerene, an allotropic form of carbon made up of spherical molecules formed from pentagonal and hexagonal rings, was first discovered in 1985. Because fullerenes have spacious inner cavities, atoms and clusters can be encapsulated inside the fullerene cages to form endohedral fullerenes.

In particular, the unique structural and electronic properties of endohedral metallofullerenes (EMFs), where metal atoms are encapsulated within the fullerene, have attracted wide interest from physicists and chemists as well as materials scientists and biologists. The remarkable characteristics of these molecules originate in the electron transfer from the encapsulated metal atoms to the carbon cage. The positions and movements of the encapsulated metal atoms are important determinants of the chemical and physical properties of EMFs.

In this Account, we specifically describe the positions and dynamic behavior of the metal atoms encapsulated in pristine and functionalized fullerene cages. First, we examined whether the metal atoms are attached rigidly to cage carbons or move around. Our systematic investigations of EMFs, including [email protected]C2v−C82, M2@D2(10611)−C72, M2@D3h(5)−C78, M2@Ih−C80, and M2@D5h−C80, revealed that the metal positions and movements vary widely with different cage structures and numbers of metal atoms.

Second, we wanted to understand whether we could control the positions and movements of the untouchable metal atoms in EMFs. One possible way to modulate this behavior was through attachment of a molecule to the outer surface of the cage. We developed synthetic methods to modify EMFs and have examined the metal positions and movements in the functionalized carbon cages. Remarkably, we could alter the dynamic behavior of the encaged metal atoms in M2@Ih−C80 drastically through chemical modification of the outer cage. We anticipate that the control of metal atom structures and dynamics within a cage could be valuable for designing functional molecular devices with new electronic or magnetic properties.

Cited By

This article is cited by 215 publications.

  1. Chris John, Cheriyacheruvakkara Owais, Anto James, Rotti Srinivasamurthy Swathi. Swarm Intelligence Steers a Global Minima Search of Clusters Bound on Carbon Nanostructures. The Journal of Physical Chemistry C 2021, 125 (5) , 2811-2823. https://doi.org/10.1021/acs.jpcc.0c09528
  2. Muniappan Sankar, Pinki Rathi, Ashwin Ganesan, Sairaman Seetharaman, Paul A. Karr, Francis D’Souza. Persubstituted Triphenylamine Bearing Zinc Porphyrin to Host Endohedral Fullerene, [email protected]: Formation and Excited State Electron Transfer. The Journal of Physical Chemistry B 2020, 124 (27) , 5723-5729. https://doi.org/10.1021/acs.jpcb.0c04392
  3. Chong Zhao, Kai Tan, Mingzhe Nie, Yuxi Lu, Jie Zhang, Chunru Wang, Xin Lu, Taishan Wang. Scandium Tetrahedron Supported by H Anion and CN Pentaanion inside Fullerene C80. Inorganic Chemistry 2020, 59 (12) , 8284-8290. https://doi.org/10.1021/acs.inorgchem.0c00681
  4. Fabio Bologna, Edoardo Jun Mattioli, Andrea Bottoni, Francesco Zerbetto, Matteo Calvaresi. Interactions between Endohedral Metallofullerenes and Proteins: The [email protected]–Lysozyme Model. ACS Omega 2018, 3 (10) , 13782-13789. https://doi.org/10.1021/acsomega.8b01888
  5. Ying Li, Le Yang, Chang Liu, Qinghua Hou, Peng Jin, Xing Lu. Th-Based Endohedral Metallofullerenes: Anomalous Metal Position and Significant Metal-Cage Covalent Interactions with the Involvement of Th 5f Orbitals. Inorganic Chemistry 2018, 57 (12) , 7142-7150. https://doi.org/10.1021/acs.inorgchem.8b00866
  6. Ruisheng Zhao, Kun Yuan, Shengdun Zhao, Masahiro Ehara, Shigeru Nagase, Josep M. Poblet, and Xiang Zhao . Deciphering the Role of Long-Range Interaction in Endohedral Metallofullerenes: A Revisit to Sc2C70. The Journal of Physical Chemistry C 2017, 121 (37) , 20481-20488. https://doi.org/10.1021/acs.jpcc.7b06111
  7. Luis Moreira, Beatriz M. Illescas, and Nazario Martín . Supramolecular Complexation of Carbon Nanostructures by Crown Ethers. The Journal of Organic Chemistry 2017, 82 (7) , 3347-3358. https://doi.org/10.1021/acs.joc.6b03030
  8. Shigehisa Akine, Masato Miyashita, and Tatsuya Nabeshima . A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds. Journal of the American Chemical Society 2017, 139 (13) , 4631-4634. https://doi.org/10.1021/jacs.7b00840
  9. Laura Abella, Marc Mulet-Gas, Antonio Rodrı́guez-Fortea, and Josep M. Poblet . [email protected]: An Endohedral Metallofullerene Governed by Kinetic Factors?. Inorganic Chemistry 2016, 55 (7) , 3302-3306. https://doi.org/10.1021/acs.inorgchem.5b02414
  10. Juan Pablo Martínez, Fernando Langa, F. Matthias Bickelhaupt, Sílvia Osuna, and Miquel Solà . (4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature. The Journal of Physical Chemistry C 2016, 120 (3) , 1716-1726. https://doi.org/10.1021/acs.jpcc.5b11499
  11. Yongqiang Feng, Taishan Wang, Yongjian Li, Jie Li, Jingyi Wu, Bo Wu, Li Jiang, and Chunru Wang . Steering Metallofullerene Electron Spin in Porous Metal–Organic Framework. Journal of the American Chemical Society 2015, 137 (47) , 15055-15060. https://doi.org/10.1021/jacs.5b10796
  12. Bo Wu, Jiahua Hu, Peng Cui, Li Jiang, Zongwei Chen, Qun Zhang, Chunru Wang, and Yi Luo . Visible-Light Photoexcited Electron Dynamics of Scandium Endohedral Metallofullerenes: The Cage Symmetry and Substituent Effects. Journal of the American Chemical Society 2015, 137 (27) , 8769-8774. https://doi.org/10.1021/jacs.5b03612
  13. Ming-Chung Li and Ming-Der Su . Theoretical Designs for Fullerene Carbenes, C60–E–C60 and C70–E–C70 (E = Group 14 Elements): A Target for Experimental Studies. The Journal of Physical Chemistry C 2015, 119 (22) , 12668-12673. https://doi.org/10.1021/acs.jpcc.5b01016
  14. Tao Yang, Shigeru Nagase, Takeshi Akasaka, Josep M. Poblet, K. N. Houk, Masahiro Ehara, and Xiang Zhao . (2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes [email protected] (M = Sc, Y): A Rotating-Intermediate Mechanism. Journal of the American Chemical Society 2015, 137 (21) , 6820-6828. https://doi.org/10.1021/jacs.5b01444
  15. Naoki Haruta, Tohru Sato, and Kazuyoshi Tanaka . Reactivity of Endohedral Metallofullerene [email protected] in Nucleophilic and Electrophilic Attacks: Vibronic Coupling Density Approach. The Journal of Organic Chemistry 2015, 80 (1) , 141-147. https://doi.org/10.1021/jo502208t
  16. Israel Fernández, Miquel Solà, and F. Matthias Bickelhaupt . Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes [email protected] (Ng = He to Xe). Journal of Chemical Theory and Computation 2014, 10 (9) , 3863-3870. https://doi.org/10.1021/ct500444z
  17. Hongyun Fang, Hailin Cong, Mitsuaki Suzuki, Lipiao Bao, Bing Yu, Yunpeng Xie, Naomi Mizorogi, Marilyn M. Olmstead, Alan L. Balch, Shigeru Nagase, Takeshi Akasaka, and Xing Lu . Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized [email protected] and Its Singly Bonded Derivative. Journal of the American Chemical Society 2014, 136 (29) , 10534-10540. https://doi.org/10.1021/ja505858y
  18. Taishan Wang and Chunru Wang . Endohedral Metallofullerenes Based on Spherical Ih-C80 Cage: Molecular Structures and Paramagnetic Properties. Accounts of Chemical Research 2014, 47 (2) , 450-458. https://doi.org/10.1021/ar400156z
  19. Takahito Watanabe, Masato F. Itoh, Takashi Komuro, Hiroshi Okada, Takeshi Sakai, Yoshihiro Ono, Kazuhiko Kawachi, Yasuhiko Kasama, and Hiromi Tobita . Iridium and Platinum Complexes of [email protected] Organometallics 2014, 33 (3) , 608-611. https://doi.org/10.1021/om4008899
  20. Faye L. Bowles, Brandon Q. Mercado, Kamran B. Ghiassi, Susanne Y. Chen, Marilyn M. Olmstead, Hua Yang, Ziyang Liu, and Alan L. Balch . Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular Fullerenes D5h(1)-C90 and D5h-C70. Crystal Growth & Design 2013, 13 (10) , 4591-4598. https://doi.org/10.1021/cg401138g
  21. Wenjun Zhang, Mitsuaki Suzuki, Yunpeng Xie, Lipiao Bao, Wenting Cai, Zdenek Slanina, Shigeru Nagase, Ming Xu, Takeshi Akasaka, and Xing Lu . Molecular Structure and Chemical Property of a Divalent Metallofullerene [email protected](13)-C84. Journal of the American Chemical Society 2013, 135 (34) , 12730-12735. https://doi.org/10.1021/ja405223t
  22. Alexey A. Popov, Shangfeng Yang, and Lothar Dunsch . Endohedral Fullerenes. Chemical Reviews 2013, 113 (8) , 5989-6113. https://doi.org/10.1021/cr300297r
  23. Jianyuan Zhang, Steven Stevenson, and Harry C. Dorn . Trimetallic Nitride Template Endohedral Metallofullerenes: Discovery, Structural Characterization, Reactivity, and Applications. Accounts of Chemical Research 2013, 46 (7) , 1548-1557. https://doi.org/10.1021/ar300301v
  24. Manolis D. Tzirakis and Michael Orfanopoulos . Radical Reactions of Fullerenes: From Synthetic Organic Chemistry to Materials Science and Biology. Chemical Reviews 2013, 113 (7) , 5262-5321. https://doi.org/10.1021/cr300475r
  25. Shangfeng Yang, Tao Wei, Nadezhda B. Tamm, Erhard Kemnitz, and Sergey I. Troyanov . Trifluoromethyl and Chloro Derivatives of a Higher Fullerene D2-C80(2): C80(CF3)12 and C80Cl28. Inorganic Chemistry 2013, 52 (9) , 4768-4770. https://doi.org/10.1021/ic400358e
  26. Yihan Ma, Taishan Wang, Jingyi Wu, Yongqiang Feng, Hui Li, Li Jiang, Chunying Shu, and Chunru Wang . Electron Spin Manipulation via Encaged Cluster: Differing Anion Radicals of [email protected], [email protected], and [email protected] The Journal of Physical Chemistry Letters 2013, 4 (3) , 464-467. https://doi.org/10.1021/jz3020666
  27. Kumiko Sato, Masahiro Kako, Naomi Mizorogi, Takahiro Tsuchiya, Takeshi Akasaka, and Shigeru Nagase . Bis-Silylation of [email protected]: Considerable Variation in the Electronic Structures. Organic Letters 2012, 14 (23) , 5908-5911. https://doi.org/10.1021/ol302832k
  28. Xin Liu, Lin Li, Bo Liu, Dongqi Wang, Yuliang Zhao, and Xingfa Gao . Theoretical Study on the Ground State Structure of Uranofullerene [email protected] The Journal of Physical Chemistry A 2012, 116 (47) , 11651-11655. https://doi.org/10.1021/jp306481e
  29. Mitsuaki Suzuki, Zdenek Slanina, Naomi Mizorogi, Xing Lu, Shigeru Nagase, Marilyn M. Olmstead, Alan L. Balch, and Takeshi Akasaka . Single-Crystal X-ray Diffraction Study of Three [email protected] Isomers Cocrystallized with NiII(octaethylporphyrin). Journal of the American Chemical Society 2012, 134 (45) , 18772-18778. https://doi.org/10.1021/ja308706d
  30. Kumiko Sato, Masahiro Kako, Mitsuaki Suzuki, Naomi Mizorogi, Takahiro Tsuchiya, Marilyn M. Olmstead, Alan L. Balch, Takeshi Akasaka, and Shigeru Nagase . Synthesis of Silylene-Bridged Endohedral Metallofullerene [email protected] Journal of the American Chemical Society 2012, 134 (38) , 16033-16039. https://doi.org/10.1021/ja3073929
  31. Tong-Xin Liu, Tao Wei, San-E Zhu, Guan-Wu Wang, Mingzhi Jiao, Shangfeng Yang, Faye L. Bowles, Marilyn M. Olmstead, and Alan L. Balch . Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of [email protected] Journal of the American Chemical Society 2012, 134 (29) , 11956-11959. https://doi.org/10.1021/ja305446v
  32. Ning Chen, Christine M. Beavers, Marc Mulet-Gas, Antonio Rodríguez-Fortea, Elias J. Munoz, Yu-Yang Li, Marilyn M. Olmstead, Alan L. Balch, Josep M. Poblet, and Luis Echegoyen . [email protected](10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage. Journal of the American Chemical Society 2012, 134 (18) , 7851-7860. https://doi.org/10.1021/ja300765z
  33. Marc Garcia-Borràs, Adrian Romero-Rivera, Sílvia Osuna, Josep M. Luis, Marcel Swart, and Miquel Solà . The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes. Journal of Chemical Theory and Computation 2012, 8 (5) , 1671-1683. https://doi.org/10.1021/ct300044x
  34. Mitsuaki Suzuki, Xing Lu, Satoru Sato, Hidefumi Nikawa, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Shigeru Nagase, and Takeshi Akasaka . Where Does the Metal Cation Stay in [email protected](9)-C82? A Single-Crystal X-ray Diffraction Study. Inorganic Chemistry 2012, 51 (9) , 5270-5273. https://doi.org/10.1021/ic300186y
  35. Hiroki Kurihara, Yuto Iiduka, Yves Rubin, Markus Waelchli, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Shigeru Nagase, and Takeshi Akasaka . Unexpected Formation of a [email protected] Bisfulleroid Derivative. Journal of the American Chemical Society 2012, 134 (9) , 4092-4095. https://doi.org/10.1021/ja300279x
  36. Hiroki Kurihara, Xing Lu, Yuko Iiduka, Hidefumi Nikawa, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Shigeru Nagase, and Takeshi Akasaka . Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on [email protected](5)–C80 with Complete X-ray Crystallographic Characterizations. Journal of the American Chemical Society 2012, 134 (6) , 3139-3144. https://doi.org/10.1021/ja210101f
  37. Hiroki Kurihara, Xing Lu, Yuko Iiduka, Hidefumi Nikawa, Makoto Hachiya, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Shigeru Nagase, and Takeshi Akasaka . X-ray Structures of [email protected] (n = 40–42): In-Depth Understanding of the Core–Shell Interplay in Carbide Cluster Metallofullerenes. Inorganic Chemistry 2012, 51 (1) , 746-750. https://doi.org/10.1021/ic202438u
  38. Jingyi Wu, Taishan Wang, Yihan Ma, Li Jiang, Chunying Shu, and Chunru Wang . Synthesis, Isolation, Characterization, and Theoretical Studies of [email protected] The Journal of Physical Chemistry C 2011, 115 (48) , 23755-23759. https://doi.org/10.1021/jp2081929
  39. Xing Lu, Koji Nakajima, Yuko Iiduka, Hidefumi Nikawa, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Shigeru Nagase, and Takeshi Akasaka . Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene [email protected](6)-C82. Journal of the American Chemical Society 2011, 133 (48) , 19553-19558. https://doi.org/10.1021/ja208841w
  40. Koji Sawai, Yuta Takano, Marta Izquierdo, Salvatore Filippone, Nazario Martín, Zdenek Slanina, Naomi Mizorogi, Markus Waelchli, Takahiro Tsuchiya, Takeshi Akasaka, and Shigeru Nagase . Enantioselective Synthesis of Endohedral Metallofullerenes. Journal of the American Chemical Society 2011, 133 (44) , 17746-17752. https://doi.org/10.1021/ja2062727
  41. Pawar Ravinder and Venkatesan Subramanian . Studies on the Encapsulation of Various Anions in Different Fullerenes Using Density Functional Theory Calculations and Born–Oppenheimer Molecular Dynamics Simulation. The Journal of Physical Chemistry A 2011, 115 (42) , 11723-11733. https://doi.org/10.1021/jp203421v
  42. Hua Yang, Hongxiao Jin, Bo Hong, Ziyang Liu, Christine M. Beavers, Hongyu Zhen, Zhimin Wang, Brandon Q. Mercado, Marilyn M. Olmstead, and Alan L. Balch . Large Endohedral Fullerenes Containing Two Metal Ions, [email protected](35)-C88, [email protected](21)-C90, and [email protected](85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions. Journal of the American Chemical Society 2011, 133 (42) , 16911-16919. https://doi.org/10.1021/ja206244w
  43. Xing Lu, Yongfu Lian, Christine M. Beavers, Naomi Mizorogi, Zdenek Slanina, Shigeru Nagase, and Takeshi Akasaka . Crystallographic X-ray Analyses of [email protected](3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene. Journal of the American Chemical Society 2011, 133 (28) , 10772-10775. https://doi.org/10.1021/ja204653z
  44. Lai Feng, Shankara Gayathri Radhakrishnan, Naomi Mizorogi, Zdenek Slanina, Hidefumi Nikawa, Takahiro Tsuchiya, Takeshi Akasaka, Shigeru Nagase, Nazario Martín, and Dirk M. Guldi . Synthesis and Charge-Transfer Chemistry of [email protected]/[email protected]−Zinc Porphyrin Conjugates: Impact of Endohedral Cluster. Journal of the American Chemical Society 2011, 133 (19) , 7608-7618. https://doi.org/10.1021/ja202331r
  45. Hiroki Kurihara, Xing Lu, Yuko Iiduka, Naomi Mizorogi, Zdenek Slanina, Takahiro Tsuchiya, Takeshi Akasaka, and Shigeru Nagase . [email protected] Rather than [email protected]: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster. Journal of the American Chemical Society 2011, 133 (8) , 2382-2385. https://doi.org/10.1021/ja1107723
  46. Michio Yamada, Mari Minowa, Satoru Sato, Masahiro Kako, Zdenek Slanina, Naomi Mizorogi, Takahiro Tsuchiya, Yutaka Maeda, Shigeru Nagase, and Takeshi Akasaka. Thermal Carbosilylation of Endohedral Dimetallofullerene [email protected] with Silirane. Journal of the American Chemical Society 2010, 132 (50) , 17953-17960. https://doi.org/10.1021/ja108671b
  47. Tai-Shan Wang, Lai Feng, Jing-Yi Wu, Wei Xu, Jun-Feng Xiang, Kai Tan, Yi-Han Ma, Jun-Peng Zheng, Li Jiang, Xin Lu, Chun-Ying Shu, and Chun-Ru Wang. Planar Quinary Cluster inside a Fullerene Cage: Synthesis and Structural Characterizations of [email protected] Journal of the American Chemical Society 2010, 132 (46) , 16362-16364. https://doi.org/10.1021/ja107843b
  48. Junko Nagatsuka, Sachie Sugitani, Masahiro Kako, Tsukasa Nakahodo, Naomi Mizorogi, Midori O. Ishitsuka, Yutaka Maeda, Takahiro Tsuchiya, Takeshi Akasaka, Xingfa Gao and Shigeru Nagase . Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives. Journal of the American Chemical Society 2010, 132 (34) , 12106-12120. https://doi.org/10.1021/ja1049719
  49. Yuta Takano, M. Ángeles Herranz, Nazario Martín, Shankara Gayathri Radhakrishnan, Dirk M. Guldi, Takahiro Tsuchiya, Shigeru Nagase and Takeshi Akasaka. Donor−Acceptor Conjugates of Lanthanum Endohedral Metallofullerene and π-Extended Tetrathiafulvalene. Journal of the American Chemical Society 2010, 132 (23) , 8048-8055. https://doi.org/10.1021/ja100665q
  50. Saira Sajjad, Muhammad Ali Hashmi, Tariq Mahmood, Khurshid Ayub. Permeation of second row neutral elements through Al12P12 and B12P12 nanocages; a first-principles study. Journal of Molecular Graphics and Modelling 2020, 101 , 107748. https://doi.org/10.1016/j.jmgm.2020.107748
  51. Pau Besalú‐Sala, Josep M. Luis, Miquel Solà. Bingel–Hirsch Addition of Diethyl Bromomalonate to Ion‐Encapsulated Fullerenes [email protected] 60 (M=Ø, Li + , Na + , K + , Mg 2+ , Ca 2+ , and Cl − ). Chemistry – A European Journal 2020, 26 (63) , 14481-14487. https://doi.org/10.1002/chem.202003208
  52. Debolina Paul, Harkishan Dua, Utpal Sarkar. Confinement Effects of a Noble Gas Dimer Inside a Fullerene Cage: Can It Be Used as an Acceptor in a DSSC?. Frontiers in Chemistry 2020, 8 https://doi.org/10.3389/fchem.2020.00621
  53. Anastasia D. Pykhova, Olesya O. Semivrazhskaya, Nataliya A. Samoylova, Alexey V. Rybalchenko, Marco Rosenkranz, Ilya N. Ioffe, Alexey A. Popov, Alexey A. Goryunkov. Addition of CF 2 group to endohedral fullerene Sc 3 [email protected] I h -C 80. Dalton Transactions 2020, 49 (26) , 9137-9147. https://doi.org/10.1039/D0DT01513J
  54. Anna V. Zakharova, Marina E. Bedrina. A quantum chemical study of endometallofullerenes: [email protected], [email protected], [email protected], and [email protected] The European Physical Journal D 2020, 74 (6) https://doi.org/10.1140/epjd/e2020-10109-5
  55. Qing-Ya Meng, Bo Zhang, Dong-Lai Wang. Geometric and electronic properties of [email protected](1660)-C108 fullerene. Computational and Theoretical Chemistry 2020, 1173 , 112672. https://doi.org/10.1016/j.comptc.2019.112672
  56. Mozhgan Shahamirian, S.M. Azami. Encapsulation of glycine inside C60 fullerene: Impact of confinement. Physics Letters A 2019, 383 (36) , 126004. https://doi.org/10.1016/j.physleta.2019.126004
  57. Peng Jin, Ying Li, Saneliswa Magagula, Zhongfang Chen. Exohedral functionalization of endohedral metallofullerenes: Interplay between inside and outside. Coordination Chemistry Reviews 2019, 388 , 406-439. https://doi.org/10.1016/j.ccr.2019.02.028
  58. Lipiao Bao, Pengyuan Yu, Ying Li, Changwang Pan, Wangqiang Shen, Peng Jin, Shuquan Liang, Xing Lu. Highly regioselective complexation of tungsten with [email protected] 82 /[email protected] 84 : interplay between endohedral and exohedral metallic units induced by electron transfer. Chemical Science 2019, 10 (19) , 4945-4950. https://doi.org/10.1039/C9SC01479A
  59. Masahiro Kako, Yuki Arikawa, Shinji Kanzawa, Michio Yamada, Yutaka Maeda, Makoto Furukawa, Takeshi Akasaka. Addition of S ‐Heterocyclic Carbenes to Fullerenes: Formation and Characterization of Dithiomethano‐Bridged Derivatives. Helvetica Chimica Acta 2019, 102 (5) , e1900064. https://doi.org/10.1002/hlca.201900064
  60. Masahiro Kako, Fumiaki Ozeki, Shinji Kanzawa, Shinpei Fukazawa, Kumiko Sato, Michio Yamada, Yutaka Maeda, Makoto Furukawa, Takeshi Akasaka. Photoreactions of Sc 3 [email protected] I h -C 80 and Lu 3 [email protected] I h -C 80 with disilirane: Isolation and characterization of labile 1,2-adducts. Heteroatom Chemistry 2018, 29 (5-6) , e21477. https://doi.org/10.1002/hc.21477
  61. A. J. Stasyuk, M. Solà, A. A. Voityuk. Reliable charge assessment on encapsulated fragment for endohedral systems. Scientific Reports 2018, 8 (1) https://doi.org/10.1038/s41598-018-21240-0
  62. Weiyu Xie, Wanrun Jiang, Yang Gao, Jia Wang, Zhigang Wang. Binding for endohedral-metallofullerene superatoms induced by magnetic coupling. Chemical Communications 2018, 54 (95) , 13383-13386. https://doi.org/10.1039/C8CC08200F
  63. Zlatko Bačić. Perspective: Accurate treatment of the quantum dynamics of light molecules inside fullerene cages: Translation-rotation states, spectroscopy, and symmetry breaking. The Journal of Chemical Physics 2018, 149 (10) , 100901. https://doi.org/10.1063/1.5049358
  64. Jorge Gutiérrez-Flores, Alfredo Moreno, Francisco J. Vázquez, Citlalli Rios, Betzabeth Minutti, Guadalupe Morales, Aura Suarez, Estrella Ramos, Roberto Salcedo. Cycloaddition reactions of pristine and endohedral fullerene molecules: possible anticancer activity. Journal of Molecular Modeling 2018, 24 (9) https://doi.org/10.1007/s00894-018-3778-5
  65. Wen-Juan Zhao, Ai-Hua Cao, Jian-Lei Tian, Li-Hua Gan. Structural connectivity and formation mechanism of monometallic cluster fullerenes [email protected] n ( n  = 68-84). International Journal of Quantum Chemistry 2018, 118 (16) , e25647. https://doi.org/10.1002/qua.25647
  66. A. Mauracher, O. Echt, A.M. Ellis, S. Yang, D.K. Bohme, J. Postler, A. Kaiser, S. Denifl, P. Scheier. Cold physics and chemistry: Collisions, ionization and reactions inside helium nanodroplets close to zero K. Physics Reports 2018, 751 , 1-90. https://doi.org/10.1016/j.physrep.2018.05.001
  67. Yongbing Lou, Yake Zhang, Lin Cheng, Jinxi Chen, Yixin Zhao. A Stable Plasmonic [email protected] 2 O/ZnO Heterojunction for Enhanced Photocatalytic Hydrogen Generation. ChemSusChem 2018, 11 (9) , 1505-1511. https://doi.org/10.1002/cssc.201800249
  68. Ouissam El Bakouri, Marc Garcia-Borràs, Rosa M. Girón, Salvatore Filippone, Nazario Martín, Miquel Solà. On the regioselectivity of the Diels–Alder cycloaddition to C 60 in high spin states. Physical Chemistry Chemical Physics 2018, 20 (17) , 11577-11585. https://doi.org/10.1039/C7CP07965F
  69. Haibing Meng, Chong Zhao, Yongjian Li, Mingzhe Nie, Chunru Wang, Taishan Wang. An implanted paramagnetic metallofullerene probe within a metal–organic framework. Nanoscale 2018, 10 (7) , 3291-3298. https://doi.org/10.1039/C7NR09420E
  70. Zdeněk Slanina, Filip Uhlík, Ludwik Adamowicz, Takeshi Akasaka, Shigeru Nagase, Xing Lu. Stability issues in computational screening of carbon nanostructures: illustrations on La endohedrals. Molecular Simulation 2017, 43 (17) , 1472-1479. https://doi.org/10.1080/08927022.2017.1321752
  71. J. Ulises Reveles, Govinda KC, Tunna Baruah, Rajendra R. Zope. Diels-Alder addition to [email protected] an electronic and structural study. Chemical Physics Letters 2017, 685 , 198-204. https://doi.org/10.1016/j.cplett.2017.07.062
  72. Masahiro Kako, Shigeru Nagase, Takeshi Akasaka. Functionalization of Endohedral Metallofullerenes with Reactive Silicon and Germanium Compounds. Molecules 2017, 22 (7) , 1179. https://doi.org/10.3390/molecules22071179
  73. Masahiro Kako, Takeshi Sugiura, Kyosuke Miyabe, Masanori Yasui, Michio Yamada, Yutaka Maeda, Jing-Dong Guo, Shigeru Nagase, Takeshi Akasaka. Preparation, Structural Determination, and Characterization of Electronic Properties of [5,6]- and [6,6]-Carbosilylated Sc 3 [email protected] I h -C 80. Chemistry - An Asian Journal 2017, 12 (12) , 1391-1399. https://doi.org/10.1002/asia.201700506
  74. Masahiro Kako, Kazuya Minami, Taiki Kuroiwa, Shinpei Fukazawa, Yuki Arikawa, Michio Yamada, Yutaka Maeda, Qiao-Zhi Li, Shigeru Nagase, Takeshi Akasaka. Photoreactions of Endohedral Metallofullerene with Siliranes: Electronic Properties of Carbosilylated [email protected] Molecules 2017, 22 (5) , 850. https://doi.org/10.3390/molecules22050850
  75. Gang Sun, Jing Xu, Zhi-Yuan Chen, E. Lei, Xiang-Shuai Liu, Chun-Guang Liu. Cooperative coupling of the Li cation and groups to amplify the charge transfer between C60 and corannulene. Chemical Physics Letters 2017, 669 , 166-170. https://doi.org/10.1016/j.cplett.2016.12.035
  76. Tandabany C. Dinadayalane, Jerzy Leszczynski. Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives. 2017,,, 1175-1258. https://doi.org/10.1007/978-3-319-27282-5_22
  77. , , , , , . Handbook of Computational Chemistry. 2017,,https://doi.org/10.1007/978-3-319-27282-5
  78. Alexey A. Popov. Synthesis and Molecular Structures of Endohedral Fullerenes. 2017,,, 1-34. https://doi.org/10.1007/978-3-319-47049-8_1
  79. . Endohedral Fullerenes: Electron Transfer and Spin. 2017,,https://doi.org/10.1007/978-3-319-47049-8
  80. Pavlo O. Dral, Timothy Clark. On the feasibility of reactions through the fullerene wall: a theoretical study of NH x @C 60. Physical Chemistry Chemical Physics 2017, 19 (26) , 17199-17209. https://doi.org/10.1039/C7CP02865B
  81. Irina Kalinina, Elena Bekyarova, Santanu Sarkar, Mikhail E. Itkis, Sandip Niyogi, Neetu Jha, Qingxiao Wang, Xixiang Zhang, Yas Fadel Al-Hadeethi, Robert C. Haddon. Synthesis and Characterization of Hexahapto-Chromium Complexes of Single-Walled Carbon Nanotubes. 2016,,, 87-114. https://doi.org/10.1002/9783527648160.ch6
  82. , . Chemical Synthesis and Applications of Graphene and Carbon Materials. 2017,,https://doi.org/10.1002/9783527648160
  83. Juan Pablo Martínez, Sai Vikrama Chaitanya Vummaleti, Laura Falivene, Steven P. Nolan, Luigi Cavallo, Miquel Solà, Albert Poater. In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C 60 Fullerenes. Chemistry - A European Journal 2016, 22 (19) , 6617-6623. https://doi.org/10.1002/chem.201600383
  84. Tandabany C. Dinadayalane, Jerzy Leszczynski. Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives. 2016,,, 1-84. https://doi.org/10.1007/978-94-007-6169-8_22-2
  85. . Handbook of Computational Chemistry. 2016,,https://doi.org/10.1007/978-94-007-6169-8
  86. Shohei Shiomi, Makoto Kawamori, Shunsuke Yagi, Eiichiro Matsubara. One-pot synthesis of silica-coated copper nanoparticles with high chemical and thermal stability. Journal of Colloid and Interface Science 2015, 460 , 47-54. https://doi.org/10.1016/j.jcis.2015.08.033
  87. Masahiro Kako, Kyosuke Miyabe, Kumiko Sato, Mitsuaki Suzuki, Naomi Mizorogi, Wei-Wei Wang, Michio Yamada, Yutaka Maeda, Marilyn M. Olmstead, Alan L. Balch, Shigeru Nagase, Takeshi Akasaka. Preparation, Structural Determination, and Characterization of Electronic Properties of Bis-silylated and Bis-germylated Lu 3 [email protected] I h -C 80. Chemistry - A European Journal 2015, 21 (46) , 16411-16420. https://doi.org/10.1002/chem.201502511
  88. Xu Gao, Li-Juan Zhao, Dong-Lai Wang. Theoretical study on monometallic cyanide cluster fullerenes [email protected] (M=Y, Tb). Journal of Molecular Modeling 2015, 21 (11) https://doi.org/10.1007/s00894-015-2844-5
  89. Li-Juan Zhao, Dong-Lai Wang. Monometallic cyanide cluster fullerene [email protected] 78 : A theoretical prediction. International Journal of Quantum Chemistry 2015, 115 (12) , 779-784. https://doi.org/10.1002/qua.24903
  90. F. Matthias Bickelhaupt, Miquel Solà, Israel Fernández. Understanding the Reactivity of Endohedral Metallofullerenes: C 78 versus Sc 3 [email protected] 78. Chemistry - A European Journal 2015, 21 (15) , 5760-5768. https://doi.org/10.1002/chem.201500067
  91. Michio Yamada, Yasuhiro Muto, Hiroki Kurihara, Zdenek Slanina, Mitsuaki Suzuki, Yutaka Maeda, Yves Rubin, Marilyn M. Olmstead, Alan L. Balch, Shigeru Nagase, Xing Lu, Takeshi Akasaka. Regioselective Cage Opening of La 2 @D 2 (10611)-C 72 with 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine. Angewandte Chemie 2015, 127 (7) , 2260-2263. https://doi.org/10.1002/ange.201410012
  92. Michio Yamada, Yasuhiro Muto, Hiroki Kurihara, Zdenek Slanina, Mitsuaki Suzuki, Yutaka Maeda, Yves Rubin, Marilyn M. Olmstead, Alan L. Balch, Shigeru Nagase, Xing Lu, Takeshi Akasaka. Regioselective Cage Opening of La 2 @D 2 (10611)-C 72 with 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine. Angewandte Chemie International Edition 2015, 54 (7) , 2232-2235. https://doi.org/10.1002/anie.201410012
  93. Zhuxia Zhang, Yang Liu, Peide Han, Shengyi Zhuang, Taishan Wang, Shuchang Luo, Bingshe Xu. Metallofullerenes Encaging Mixed-Metal Clusters: Synthesis and Structural Studies of Gd x Ho 3− x [email protected] 80 and Gd x Lu 3− x [email protected] 80. ChemPhysChem 2015, 16 (2) , 295-298. https://doi.org/10.1002/cphc.201402679
  94. Bin Liu, Hongyun Fang, Xiaofang Li, Wenting Cai, Lipiao Bao, Marc Rudolf, Fabian Plass, Louzhen Fan, Xing Lu, Dirk M. Guldi. Synthesis and Photophysical Properties of a Sc 3 [email protected] 80 -Corrole Electron Donor-Acceptor Conjugate. Chemistry - A European Journal 2015, 21 (2) , 746-752. https://doi.org/10.1002/chem.201405572
  95. Peter Schwerdtfeger, Lukas N Wirz, James Avery. The topology of fullerenes. Wiley Interdisciplinary Reviews: Computational Molecular Science 2015, 5 (1) , 96-145. https://doi.org/10.1002/wcms.1207
  96. Helena Dodziuk. Endohedral Fullerene Complexes. Which and How Many Small Molecules Can Be Inserted into Fullerenes and a Carbon Nanotube?. 2015,,, 3-29. https://doi.org/10.1007/978-3-319-06611-0_1
  97. , . Nanocomposites, Nanophotonics, Nanobiotechnology, and Applications. 2015,,https://doi.org/10.1007/978-3-319-06611-0
  98. Ruhong Zhou. Fullerene and Derivatives. 2015,,, 17-43. https://doi.org/10.1007/978-3-319-15382-7_2
  99. Ruhong Zhou. Modeling of Nanotoxicity. 2015,,https://doi.org/10.1007/978-3-319-15382-7
  100. Michio Yamada, Satoru Sato, Yuta Takano, Lai Feng, Shigeru Nagase, Takeshi Akasaka. Endohedral Metallofullerenes: From Chemical Reactivity to Material Performance. 2015,,, 133-153. https://doi.org/10.1007/978-4-431-55357-1_9

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

You’ve supercharged your research process with ACS and Mendeley!

STEP 1:
Click to create an ACS ID

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

OOPS

You have to login with your ACS ID befor you can login with your Mendeley account.

MENDELEY PAIRING EXPIRED
Your Mendeley pairing has expired. Please reconnect

This website uses cookies to improve your user experience. By continuing to use the site, you are accepting our use of cookies. Read the ACS privacy policy.

CONTINUE