Тип публикации: статья из журнала
Год издания: 2018
Идентификатор DOI: 10.1016/j.jorganchem.2018.08.009
Ключевые слова: Carbonyls, GIPAW calculations, Rhodium(I) complexes, Solid-state 13C NMR, X-ray structure
Аннотация: 13C MAS NMR spectrum of polycrystalline [Rh(Acac) (CO)2] (1) displays separate signals from all 7 carbon atoms: 2 doublets from CO ligand carbons along with 5 singlets from Acac carbons. GIPAW calculation of 13C shielding tensor values also revealed non-equivalence of all carbon atoms in molecule 1 in the anisotropic medium of the crystal lattice. Apparently, the C2v symmetry of molecule 1 is broken owing to the asymmetry of its contacts to the neighboring molecules. For example, the contacts O⋯H–C of two CO ligands of molecule 1 to the CH group of the closest molecule in the adjacent stack are markedly different: the distances OH are 2.72 and 4.38 Å the distances OC are 3.65 and 5.00 Å the angles OHC are 164.9° and 126.4°. © 2018 Elsevier B.V.
Издание
Журнал: Journal of Organometallic Chemistry
Выпуск журнала: Vol. 874
Номера страниц: 70-73
ISSN журнала: 0022328X
Издатель: Elsevier B.V.
Персоны
- Varshavsky Y.S. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Cherkasova T.G. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Galding M.R. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Korlyukov A.A. (Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilova Street, 28, Moscow, 117813, Russian Federation)
- Podkorytov I.S. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Gindin V.A. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Smirnov S.N. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Mazur A.S. (St. Petersburg State University, 7/9 Universitetskaya Emb., St. Petersburg, 199034, Russian Federation)
- Rubaylo A.I. (Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS” 50/24 Akademgorodok, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, 660041, Russian Federation)
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