Conformational analysis of trans-[ReO2(pn)2]+ in aqueous solution by NMR and DFT calculations

Journal of Molecular Structure

Volumn 892, Issue 1-3, 2008, Pages 146-150

  Gancheff, J S ^a   Kremer, C ^a   Seoane, G ^a   Ventura, O N ^b   Dominguez S ^c  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

^b UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

^c UNIVERSIDAD DE LA LAGUNA   (Spain)

Author keywords

DFT GIAO; Dioxo complexes; NMR; Rhenium(V)

Indexed keywords

BLIND SOURCE SEPARATION; CONFORMATIONS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; LIGANDS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RHENIUM; RHENIUM ALLOYS; RHENIUM COMPOUNDS; SULFUR COMPOUNDS; VANADIUM COMPOUNDS;

AQUEOUS SOLUTIONS; ATOMIC ORBITALS; CONFORMATIONAL ANALYSES; CONFORMATIONAL STUDIES; DFT CALCULATIONS; DFT GIAO; DIOXO COMPLEXES; ENERGY DIFFERENCES; EXPERIMENTAL EVIDENCES; LIGAND CONFORMATIONS; NMR; NMR SPECTROSCOPIES; PN LIGANDS; POLARIZABLE CONTINUUM MODELS; RELATIVE ORIENTATIONS; SIGNAL PATTERNS;

SOLUTIONS;

EID: 56149104529     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.05.008     Document Type: Article

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