Computational study on second-order nonlinear optical (NLO) properties of a novel class of two-dimensional Λ- And W-shaped sandwich metallocarborane-containing chromophores

Journal of Organometallic Chemistry

Volumn 696, Issue 11-12, 2011, Pages 2380-2387

  Ma, Na Na ^a   Yang, Guo Chun ^a   Sun, Shi Ling ^a   Liu, Chun Guang ^b   Qiu, Yong Qing ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b NORTHEAST ELECTRIC POWER UNIVERSITY   (China)

Author keywords

DFT; Dipole moment; Sandwich metallocarborane; Second order NLO coefficients

Indexed keywords

COMPUTATIONAL STUDIES; DFT; ELECTRON ACCEPTOR; ELECTRON DONORS; ELECTRONIC ABSORPTION; LINEAR OPTICAL PROPERTIES; POLARIZABILITIES; SANDWICH METALLOCARBORANE; SECOND ORDERS; SECOND-ORDER NLO COEFFICIENTS; SECOND-ORDER NONLINEAR OPTICAL PROPERTY; SUBSTITUTION EFFECT; TIME-DEPENDENT DFT;

CHARGE TRANSFER; CHEMICAL BONDS; CHROMOPHORES; DENSITY FUNCTIONAL THEORY; DIPOLE MOMENT; ELECTRIC DIPOLE MOMENTS; ION EXCHANGE; MOLECULAR ORBITALS; TWO DIMENSIONAL;

OPTICAL PROPERTIES;

EID: 79955579564     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2011.03.004     Document Type: Article

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