Published 1995
| Version v1
Journal article
Quantum-chemical interpretation of regioselective coordination in the series of 2-aminoazole-metal complexes
- 1. Rostovskij-na-Donu Gosudarstvennyj Univ., Rostov-na-Donu (Russian Federation). Nauchno-Issledovatel'skij Inst. Fizicheskoj i Organicheskoj Khimii
Description
Relative thermodynamic stabilities and competitive bonding (regioselective coordination) of Pearson acids (hard BeCl2, intermediate ZnCl2 and soft HgCl2) with aminoheterocycles (L): 2-aminoxazole, 2-aminothiazole, 2-aminoimidazole were estimated by quantum-chemical method MNDO. From the results of calculations it is evident that in tetrahedral complexes MCl2·2L coordination bond is localized on endocyclic pyridine type nitrogen atom independent of the type of metal and ligand. 26 refs., 3 tabs
Additional details
Additional titles
- Original title (Russian)
- Квантово-химическая интерпретация региоселективной координации в ряду металлокомплексов 2-аминоазолов
Publishing Information
- Journal Title
- Izvestiya Akademii Nauk. Seriya Khimicheskaya
- Journal Issue
- no.12
- Journal Page Range
- p. 2378-2380.
- ISSN
- 0002-3353
- CODEN
- IASKEA
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 27055305
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- AMINES; AZOLES; BERYLLIUM COMPLEXES; CHEMICAL BONDS; CHEMICAL COMPOSITION; CHLORIDES; COORDINATION VALENCES; FORMATION HEAT; MOLECULAR STRUCTURE; STABILITY
- Descriptors DEC
- ALKALINE EARTH METAL COMPLEXES; CHLORINE COMPOUNDS; COMPLEXES; ENTHALPY; HALIDES; HALOGEN COMPOUNDS; HETEROCYCLIC COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; PHYSICAL PROPERTIES; REACTION HEAT; THERMODYNAMIC PROPERTIES; VALENCE