Published February 1986 | Version v1
Journal article

Cluster method of boundary pseudoions in quantum-chemical analysis of paramagnetic structures (SiO)sub(n)VClsub(4-n) and their complexes with O2 on SiO2 surface

  • 1. Akademie der Wissenschaften der DDR, Berlin. Zentralinstitut fuer Organische Chemie
  • 2. AN SSSR, Moscow. Inst. Organicheskoj Khimii

Description

Electronic and radiospectroscopic characteristics of both paramagnetic surface structures (sing-identitySiO)sub(n)VClsub(4-n), formed in the course of VCl4 reaction with hydroxylated Aerosil surface, and their complexes with the molecular oxygen are analysed within the framework of the cluster method of boundary pseudoions using the uncharged ion models (UIM). An adequate quantum-chemical interpretation of the earlier experimentally studied ESR spectrum transformation under O2- surface form generation in the pentavalent vanadium ion coordination sphere on the Aerosil substrate is given

Additional details

Additional titles

Original title (Russian)
Кластерный метод пограничных псевдоионов в квантово-химическом анализе парамагнитных структур (SiO)суб(н)VClsub(4-н) и их комплексов с О

Publishing Information

Journal Title
Zh. Fiz. Khim.
Journal Volume
60
Journal Issue
2
Series
Zh. Fiz. Khim.
Journal Page Range
365-370
ISSN
0044-4537
CODEN
ZFKHA

Optional Information

Notes
For English translation see the journal Russian Journal of Physical Chemistry (UK).