Davydova, E. and Virovets, A. V. and Peresypkina, E. and Timoshkin, A. Yu (2021) Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine. RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 91 (10). pp. 1964-1968. ISSN 1070-3632, 1608-3350
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The crystal structure of the silicon tetrafluoride molecular complex with 4-phenylpyridine SiF4 center dot 2ppy has been determined by X-ray diffraction analysis. Although 4-phenylpyridine has a higher proton affinity than pyridine, the Si-N bond length in crystalline SiF4 center dot 2Py is shorter by 0.03(2) angstrom than in SiF4 center dot 2ppy. The energies of donor-acceptor Si-N bonds in SiF4 center dot 2Py (220.6 kJ/mol) and SiF4 center dot 2ppy (225.0 kJ/mol) calculated by the M06-2X/def2-TZVP method agree with a slightly higher proton affinity of 4-phenylpyridine.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | silicon tetrafluoride; 4-phenylpyridine; molecular complexes; crystal structure; quantum chemical computations |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 18 Aug 2022 11:00 |
| Last Modified: | 18 Aug 2022 11:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/46785 |
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