Experimental and Theoretical Soft X-ray Study of Nicotine and Related CompoundsClick to copy article linkArticle link copied!
- Hanan Sa’adeh*Hanan Sa’adeh*Email: [email protected]Department of Physics, The University of Jordan, 11942 Amman, JordanElettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, ItalyMore by Hanan Sa’adeh
- Frederick BacklerFrederick BacklerCentre for Translational Atomaterials and Department of Chemistry and Biotechnology, Swinburne University of Technology, Melbourne, Victoria 3122, AustraliaMore by Frederick Backler
- Feng Wang*Feng Wang*Email:[email protected]Centre for Translational Atomaterials and Department of Chemistry and Biotechnology, Swinburne University of Technology, Melbourne, Victoria 3122, AustraliaMore by Feng Wang
- Susanna PiccirilloSusanna PiccirilloDipartimento di Scienze e Tecnologie Chimiche, Università di Roma “Tor Vergata”, 00133 Rome, ItalyMore by Susanna Piccirillo
- Alessandra CiavardiniAlessandra CiavardiniCERIC-ERIC, in Area Science Park, 34149 Basovizza, Trieste, ItalyMore by Alessandra Ciavardini
- Robert RichterRobert RichterElettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, ItalyMore by Robert Richter
- Marcello CorenoMarcello CorenoISM-CNR, in Area Science Park, 34149 Basovizza, Trieste, ItalyMore by Marcello Coreno
- Kevin C. PrinceKevin C. PrinceElettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, ItalyCentre for Translational Atomaterials and Department of Chemistry and Biotechnology, Swinburne University of Technology, Melbourne, Victoria 3122, AustraliaMore by Kevin C. Prince
Abstract
The valence and core electronic structure of nicotine, nicotinic acid, and nicotinamide have been studied by photoelectron and soft X-ray absorption spectroscopy, supported by theoretical calculations, which take into account conformational isomerism. The core-level photoionization spectra of all molecules have been assigned, and theory indicates that the effects of conformational differences are small, generally less than the natural line widths of the core ionic states. However, in the case of nicotinamide, the theoretical valence ionization potentials of cis and trans conformers differ significantly in the outer valence space, and the experimental spectrum is in agreement with the calculated outer valence cis conformer spectrum. In addition, the C, N, and O K edge near-edge absorption fine structure spectra are reported and interpreted by comparison with reference compounds. We find evidence at the N and O K edges of interaction between the delocalized orbitals of the pyridine ring and the substituents for nicotinic acid and nicotinamide. The strength of the interaction varies because the first is planar, while the second is twisted, reducing the extent of orbital mixing.
Cited By
Smart citations by scite.ai include citation statements extracted from the full text of the citing article. The number of the statements may be higher than the number of citations provided by ACS Publications if one paper cites another multiple times or lower if scite has not yet processed some of the citing articles.
This article is cited by 6 publications.
- Delano P. Chong, Feng Wang. Dehydrogenation of Ammonia Borane Impacts Valence and Core Electrons: A Photoemission Spectroscopic Study. ACS Omega 2022, 7
(40)
, 35924-35932. https://doi.org/10.1021/acsomega.2c04632
- Beiran Yang, Sainan Wang, Liming Wang. Rapid Gas-Phase Autoxidation of Nicotine in the Atmosphere. The Journal of Physical Chemistry A 2022, 126
(37)
, 6495-6501. https://doi.org/10.1021/acs.jpca.2c04551
- Guoyan Ge, Jun-Rong Zhang, Sheng-Yu Wang, Minrui Wei, Weijie Hua. A QM/MM Study on the X-ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides. The Journal of Physical Chemistry C 2022, 126
(37)
, 15849-15863. https://doi.org/10.1021/acs.jpcc.2c05405
- Alexander Hill, Hanan Sa’adeh, David Cameron, Feng Wang, Alexander B. Trofimov, Elena Yu. Larionova, Robert Richter, Kevin C. Prince. Positional and Conformational Isomerism in Hydroxybenzoic Acid: A Core-Level Study and Comparison with Phenol and Benzoic Acid. The Journal of Physical Chemistry A 2021, 125
(45)
, 9877-9891. https://doi.org/10.1021/acs.jpca.1c07523
- Feng Wang, Delano P. Chong. Polycycloalkanes at the Helm: Exploring high energy density eFuel with norbornyl derivatives. Materials Today Chemistry 2024, 41 , 102264. https://doi.org/10.1016/j.mtchem.2024.102264
- Frederick Backler, Marc Antoine Sani, Frances Separovic, Vladislav Vasilyev, Feng Wang. NMR Chemical Shift and Methylation of 4-Nitroimidazole: Experiment and Theory. Australian Journal of Chemistry 2021, 74
(1)
, 48. https://doi.org/10.1071/CH20199
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.