The structure-property relationship of chiral 1,1′-binaphthyl-based polyoxometalates: TDDFT studies on the static first hyperpolarizabilities and the ECD spectra

Journal of Molecular Graphics and Modelling

Volumn 32, Issue , 2012, Pages 1-8

  Wang, Jian Ping ^a   Yan, Li Kai ^a   Guan, Wei ^a   Wen, Shi Zheng ^a   Su, Zhong Min ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Binaphthol; Enantiomer; High dimensional; Nonlinear optics; Polyoxometalate

Indexed keywords

ARYLIMIDO; BINAPHTHOL; BINAPHTHYL; CHARGE TRANSFER TRANSITIONS; CHIRAL COMPOUNDS; ELECTRON ACCEPTOR; ELECTRONIC CIRCULAR DICHROISM; FERROCENES; FIRST HYPERPOLARIZABILITIES; HIGH-DIMENSIONAL; HYBRID FUNCTIONALS; LINEAR OPTICAL; MOLECULAR HYBRID; NLO MATERIALS; NONLINEAR OPTICAL PROPERTIES; ORGANIC FRAGMENTS; ORGANIC SUBSTITUENTS; POLYOXOMETALATES; STRUCTURE PROPERTY RELATIONSHIPS; TORSION ANGLE;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DICHROISM; ENANTIOMERS; IRON COMPOUNDS; NAPHTHALENE; NONLINEAR OPTICS; ORGANOMETALLICS; OXIDES;

REDUCTION;

1,1' BINAPHTHYL DERIVATIVE;

ANISOTROPY; ARTICLE; CIRCULAR DICHROISM; DENSITY FUNCTIONAL THEORY; ELECTRONIC CIRCULAR DICHROISM; HYPERPOLARIZATION; PRIORITY JOURNAL;

CIRCULAR DICHROISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAPHTHALENES; STRUCTURE-ACTIVITY RELATIONSHIP; TUNGSTEN COMPOUNDS;

EID: 82255179352     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.09.005     Document Type: Article

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