The synthesis, spectroscopic characterisation, crystal and molecular structure of the [ReCl3(NO)(OPPh3)(pyz)] complex. DFT calculations for [ReCl3(NO)(OPPh3)(pyz)] and [ReCl 3(NO)(OPPh3)(PPh3)]

Polyhedron

Volumn 24, Issue 2, 2005, Pages 267-279

  Machura, B ^a   Jaworska, M ^a   Kruszynski, R ^b  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT and TDDFT calculations; Pyrazine; Rhenium nitrosyl complexes; X ray structure

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; NITRIC OXIDE; RHENIUM COMPOUNDS; SUBSTITUTION REACTIONS; SYNTHESIS (CHEMICAL);

DENSITY FUNCTIONAL THEORY AND TIME-DEPENDENT DFT METHOD CALCULATION; DENSITY FUNCTIONAL THEORY METHODS; DENSITY-FUNCTIONAL-THEORY; DFT METHOD; NITROSYL COMPLEX; PYRAZINES; RHENIA NITROSYL COMPLEX; SPECTROSCOPIC CHARACTERIZATION; TIME-DEPENDENT DFT; X-RAY STRUCTURE;

DENSITY FUNCTIONAL THEORY;

NITRIC OXIDE; PYRAZINE DERIVATIVE; RHENIUM COMPLEX;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; GAS; GEOMETRY; METHODOLOGY; NITROSYLATION; PARAMETER; REACTION ANALYSIS; SYNTHESIS; TIME; ULTRAVIOLET SPECTROSCOPY;

EID: 12344338983     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2004.11.024     Document Type: Article

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