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Varshavsky, Yu. S.
Cherkasova, T. G.
Galding, M. R.
Korlyukov, A. A.
Podkorytov, I. S.
Gindin, V. A.
Smirnov, S. N.
Mazur, A. S.
Rubaylo, A. I.
2019-07-01T07:29:44Z
2019-07-01T07:29:44Z
2018
Varshavsky, Yu. S. 13C NMR spectrum of crystalline [Rh(Acac) (CO)2]: A contribution to the discussion on [Rh(Acac) (CO)2] molecular structure in the solid state [Текст] / Yu. S. Varshavsky, T. G. Cherkasova, M. R. Galding, A. A. Korlyukov, I. S. Podkorytov, V. A. Gindin, S. N. Smirnov, A. S. Mazur, A. I. Rubaylo // Journal of Organometallic Chemistry. — 2018. — Т. 874 (№ 1). — С. 70-73
0022328X
https://www.sciencedirect.com/science/article/pii/S0022328X18305515?via%3Dihub
http://elib.sfu-kras.ru/handle/2311/111423
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⋯HC 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°.
Rhodium(I) complexes
Carbonyls
Solid-state
13C NMRGIPAW calculations
X-ray structure
13C NMR spectrum of crystalline [Rh(Acac) (CO)2]: A contribution to the discussion on [Rh(Acac) (CO)2] molecular structure in the solid state
Journal Article
Journal Article Preprint
70-73
31.21.29
2019-07-01T07:29:44Z
10.1016/j.jorganchem.2018.08.009
Институт цветных металлов и материаловедения
Кафедра органической и аналитической химии
Journal of Organometallic Chemistry
Q2
Q2


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