Molecular properties of a bis(1,1-diphenylallenylidene)-octacarbonyltriiron complex obtained by symmetric cleavage from 1,1,6,6-tetraphenylhexapentaene. Idealized symmetry studied in synperiplanar and synclinal conformers by X-ray diffraction, NMR and density functional theory

Autor:	Grzegorz Bakalarski, Andrzej Zimniak
Rok vydání:	2001
Předmět:	Quantum chemical Chemistry Organic Chemistry Cleavage (crystal) Biochemistry Symmetry (physics) Inorganic Chemistry Crystallography X-ray crystallography Materials Chemistry Molecule Density functional theory Physical and Theoretical Chemistry Conformational isomerism
Zdroj:	Journal of Organometallic Chemistry. 634:198-208
ISSN:	0022-328X
DOI:	10.1016/s0022-328x(01)01178-0
Popis:	Molecular deviations from symmetry of bis(1,1-diphenylallenylidene)-octacarbonyltriiron are compared in two distinct synperiplanar and synclinal conformers expressed as two polymorphic forms by the analysis of close contacts in crystals, quantum chemical DFT calculations for the isolated molecules and by 13C-NMR in solution.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dfa08491b3ee70da8fceb428c3984ad1 https://doi.org/10.1016/s0022-328x(01)01178-0 Zobrazit plný text záznamu Full Text from ScienceDirect