Metalâ€'carbon vibrational modes as a probe of the trans influence in vinylidene and carbonyl rhodium(I) complexes

Autor:	Berta Callejas-Gaspar, Damien Moigno, Juan Gil-Rubio, Helmut Werner, Wolfgang Kiefer
Rok vydání:	2001
Předmět:	Stereochemistry Trans effect Halide chemistry.chemical_element General Chemistry Catalysis Rhodium Metal Crystallography chemistry Molecular vibration visual_art Materials Chemistry visual_art.visual_art_medium Density functional theory Spectroscopy Lone pair
Zdroj:	New Journal of Chemistry. 25:1389-1397
ISSN:	1369-9261 1144-0546
Popis:	FT-Raman spectroscopy and density functional theory (DFT) calculations have been used to study the trans influence of ligands L in complexes of the general composition trans-[RhX(L)(PiPr3)2], where X = F, Cl, Br, I, CH3 and CCPh; L = 13C13CH2 , CCHPh and CO. For the vinylidene compounds 1–10, the sequence of the trans influence CCPh > CH3 > I > Br > Cl > F has been derived from the order of the ν(RhC) wavenumbers. In the carbonyl halide complexes 11–14, the sequence of the trans influence for the halide ligands is the same as for the related vinylidene halide derivatives. The trans influence of the ligands X is discussed in terms of both the σ-donor capabilities of these ligands and the electronic repulsion between the d electrons of rhodium and the lone pairs of X.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::74adafe67bbed8834a0a806e0857d6f1 https://doi.org/10.1039/b104179g Zobrazit plný text záznamu