Theoretical study of specific solvent effects on the optical and magnetic properties of copper(II) acetylacetonate

Journal of Physical Chemistry A

Volumn 115, Issue 8, 2011, Pages 1331-1339

  De Almeida, K J ^a   Ramalho , T C ^a   Rinkevicius, Z ^b   Vahtras, O ^b   Agren H ^b   Cesar, A ^c  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

3D TRANSITION; ABSORPTION TRANSITIONS; ACETYLACETONATE COMPLEXES; ACETYLACETONATES; BASE STRENGTH; BASIC SOLUTIONS; COORDINATION ENVIRONMENT; COPPER (II); CU COMPLEXES; ELECTRON PARAMAGNETIC RESONANCE; ELECTRONIC G-TENSORS; ELECTRONIC TRANSITION; EPR PARAMETERS; HYPERFINE COUPLING CONSTANTS; RED-SHIFTED; SOLVENT EFFECTS; SOLVENT MODEL; THEORETICAL STUDY; VISIBLE NEAR-INFRARED;

COMPLEXATION; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; MAGNETIC PROPERTIES; PARAMAGNETIC RESONANCE; PARAMAGNETISM; SOLVENTS;

COORDINATION REACTIONS;

COORDINATION COMPOUND; COPPER(II) ACETYLACETONATE; PYRIDINE; PYRIDINE DERIVATIVE; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE; LIGHT; LIGHT RELATED PHENOMENA; MAGNETISM; QUANTUM THEORY; SOLUTION AND SOLUBILITY; SPECTROSCOPY;

COMPUTER SIMULATION; COORDINATION COMPLEXES; ELECTRON SPIN RESONANCE SPECTROSCOPY; LIGHT; MAGNETIC PHENOMENA; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OPTICAL PHENOMENA; PYRIDINES; QUANTUM THEORY; SOLUTIONS; SOLVENTS; SPECTRUM ANALYSIS; WATER;

EID: 79952018281     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp109826p     Document Type: Article

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