Theoretical investigation on switchable second-order nonlinear optical (NLO) properties of novel cyclopentadienylcobalt linear [4]phenylene complexes

Journal of Molecular Modeling

Volumn 19, Issue 4, 2013, Pages 1779-1787

  Wang, Wen Yong ^a   Du, Xiao Feng ^a   Ma, Na Na ^a   Sun, Shi Ling ^a   Qiu, Yong Qing ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

CpCo linear 4 phenylene complex; DFT; Frequency dependent; NLO property

Indexed keywords

COBALT COMPLEX; CYCLOPENTADIENYLCOBALT LINEAR[4]PHENYLENE COMPLEX; ORGANOMETALLIC COMPOUND; SOLVENT; TETRAHYDROFURAN; UNCLASSIFIED DRUG;

ABSORPTION SPECTROSCOPY; ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; NONLINEAR OPTICAL PROPERTY; OPTICAL ROTATION; POLARIZED CONTINUUM MODEL; PRIORITY JOURNAL; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 84876419720     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1681-z     Document Type: Article

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