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Structure of trans-Rh(PH3)2(CO)X (X = F, Cl) Using Hartree-Fock/MBPT(2) and Density Functional Theory

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    Structure of trans-Rh(PH3)2(CO)X (X = F, Cl) Using Hartree-Fock/MBPT(2) and Density Functional Theory
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    The Journal of Physical Chemistry

    Cite this: J. Phys. Chem. 1994, 98, 49, 12945–12948
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    https://doi.org/10.1021/j100100a022
    Published December 1, 1994
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    This article is cited by 10 publications.

    1. Eamonn F. Murphy,, Ramaswamy Murugavel, and, Herbert W. Roesky. Organometallic Fluorides:  Compounds Containing Carbon−Metal−Fluorine Fragments of d-Block Metals. Chemical Reviews 1997, 97 (8) , 3425-3468. https://doi.org/10.1021/cr960365v
    2. Michael L. McKee and, S. D. Worley. Ab Initio Study of the Interaction of Rhodium with Dinitrogen and Carbon Monoxide. The Journal of Physical Chemistry A 1997, 101 (30) , 5600-5603. https://doi.org/10.1021/jp971602g
    3. Andrzej Wierzbicki,, Edward A. Salter,, Norris W. Hoffman,, Edwin D. Stevens,, Liem Van Do,, Margaret S. VanLoock, and, Jeffry D. Madura. Structural Investigations of trans-Rh(PY3)2(CO)X (X = F, Cl, NCO; Y = H, Me, Ph) Using Density Functional Theory and X-ray Analysis. The Journal of Physical Chemistry 1996, 100 (27) , 11250-11254. https://doi.org/10.1021/jp952918w
    4. Christian Tantardini, Artem R. Oganov. Thermochemical electronegativities of the elements. Nature Communications 2021, 12 (1) https://doi.org/10.1038/s41467-021-22429-0
    5. O. V. Sizova, Yu. S. Varshavskii, A. B. Nikol'skii. Binuclear Rhodium(I) Carbonyl Carboxylate Complexes: DFT Study of Structural and Spectral Properties. Russian Journal of Coordination Chemistry 2005, 31 (12) , 875-883. https://doi.org/10.1007/s11173-005-0185-0
    6. E. A. Shor, A. M. Shor, V. A. Nasluzov, A. I. Rubaylo. Correlation between structure and spectral characteristics of rhodium(I) chelate dicarbonyl complexes and their electron. Journal of Structural Chemistry 2005, 46 (2) , 220-229. https://doi.org/10.1007/s10947-006-0034-0
    7. Hongfei Wang, Eiichi Miki, Suyong Re, Hiroaki Tokiwa. Molecular geometries, vibrational analysis, bonding and molecular orbitals of the three isomers of [RuCl(qn)2NO] (Hqn=2-methyl-8-quinolinol or 2-chloro-8-quinolinol): density functional theory studies. Inorganica Chimica Acta 2002, 340 , 119-126. https://doi.org/10.1016/S0020-1693(02)01093-9
    8. Derek Steele, Paul F.M. Verhoeven. The vibrational spectrum and structure of cis-Rh(NH3)(CO)2Cl. Vibrational Spectroscopy 2001, 25 (1) , 29-39. https://doi.org/10.1016/S0924-2031(00)00103-X
    9. Edward A. Salter, Andrzej Wierzbicki. Investigations of trans-Rh(PY3)2(CO)X (X = NCO, NCS; Y = H, Me, Ph) complexes using density functional theory. Journal of Molecular Structure: THEOCHEM 1998, 425 (1-2) , 101-105. https://doi.org/10.1016/S0166-1280(97)00210-8
    10. Jorge M. Seminario. Calculation of intramolecular force fields from second-derivative tensors. International Journal of Quantum Chemistry 1996, 60 (7) , 1271-1277. https://doi.org/10.1002/(SICI)1097-461X(1996)60:7<1271::AID-QUA8>3.0.CO;2-W
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    The Journal of Physical Chemistry

    Cite this: J. Phys. Chem. 1994, 98, 49, 12945–12948
    Click to copy citationCitation copied!
    https://doi.org/10.1021/j100100a022
    Published December 1, 1994
    Request reuse permissions

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