Theoretical exploration to second-order nonlinear optical properties of new hybrid complexes via coordination interaction between (metallo)porphyrin and [MSiW11O39]3- (M = NbV or V V) polyoxometalates

Journal of Molecular Graphics and Modelling

Volumn 46, Issue , 2013, Pages 59-64

  Zhang, Ting ^a   Ma, Nana ^a   Yan, Likai ^a   Wen, Shizheng ^a   Ma, Tengying ^a   Su, Zhongmin ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Conjugation effect; Density functional theory; Polyoxometalate; Pyridyl porphyrin; Second order nonlinear optical property

Indexed keywords

CONJUGATION EFFECTS; COORDINATION INTERACTIONS; FIRST-ORDER HYPERPOLARIZABILITY; LARGE OPTICAL NONLINEARITIES; POLYOXOMETALATES; PYRIDYL-PORPHYRIN; SECOND-ORDER NONLINEAR OPTICAL PROPERTY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CHEMICAL BONDS; COMPLEXATION; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; NONLINEAR OPTICS; OXIDES; PORPHYRINS; SOLVENTS;

NIOBIUM COMPOUNDS;

METAL DERIVATIVE; METALLOPORPHYRIN; POLYOXOMETALATE; PORPHYRIN; UNCLASSIFIED DRUG;

ARTICLE; CONJUGATION; COORDINATION; DENSITY FUNCTIONAL THEORY; HYBRID; MOLECULAR INTERACTION; NONLINEAR SYSTEM; OPTICS; PRIORITY JOURNAL; SOLVENT EFFECT;

DENSITY FUNCTIONAL THEORY; POLYOXOMETALATE; PYRIDYL-PORPHYRIN; SECOND-ORDER NONLINEAR OPTICAL PROPERTY; Π-CONJUGATION EFFECT;

COORDINATION COMPLEXES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OPTICAL PHENOMENA; PORPHYRINS; QUANTUM THEORY; SILICON COMPOUNDS; SOLVENTS; TUNGSTEN COMPOUNDS;

EID: 84885527310     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.09.011     Document Type: Article

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