A quantum-chemical study of donor-acceptor properties of carboxylic acids and their anions and evaluation of the effect of these properties on geometric and spectroscopic parameters of palladium(II) carboxylates

Autor:	Tatiana A. Stromnova, K. Yu. Monakhov
Rok vydání:	2007
Předmět:	inorganic chemicals Quantum chemical Inorganic chemistry Substituent Ab initio chemistry.chemical_element General Chemistry chemistry.chemical_compound chemistry Group (periodic table) Computational chemistry Carboxylate Donor acceptor Palladium
Zdroj:	Russian Journal of General Chemistry. 77:1896-1903
ISSN:	1608-3350 1070-3632
DOI:	10.1134/s1070363207110096
Popis:	Ab initio Hartree-Fock calculations of the geometries and electronic structures of saturated (including halogen-substituted), unsaturated, and aromatic carboxylic acids and their anions were performed. Factors governing the donor-acceptor power of these species were revealed. The effect of donor-acceptor properties of substituent R in the carboxylate group on the geometric and spectroscopic characteristics of carboxylates was demonstrated by the example of homoligand palladium carboxylates Pd3(μ-OCOR)6.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0adc6a9e8951c09564382c8644385737 https://doi.org/10.1134/s1070363207110096 Zobrazit plný text záznamu Plný text ve formátu PDF