Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexes

Journal of Molecular Graphics and Modelling

Volumn 33, Issue , 2012, Pages 19-25

  Li, Xiao Juan ^a   Sun, Shi Ling ^a   Ma, Na Na ^a   Sun, Xiu Xin ^a   Yang, Guo Chun ^a   Qiu, Yong Qing ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Charge transfer; DFT; Redox switchable NLO property; Rh(I) complex

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; DFT CALCULATION; ELECTRONIC SPECTRUM; FIRST HYPERPOLARIZABILITIES; METAL TO LIGAND CHARGE TRANSFERS; MOLECULAR MATERIALS; NEUTRAL COMPLEXES; NLO PROPERTIES; REDOX CENTERS; REDOX PROCESS; RH COMPLEXES; RH(I) COMPLEX; SECOND ORDERS; SECOND-ORDER NONLINEAR OPTICAL; SECOND-ORDER NONLINEAR OPTICAL PROPERTY; THEORETICAL INVESTIGATIONS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ELECTRONS; LIGANDS; RHODIUM;

RHODIUM COMPOUNDS;

RHODIUM 9,10 PHENANTHRENEDIIMINE COMPLEX; RHODIUM COMPLEX; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; HYPERPOLARIZATION; OXIDATION; PRIORITY JOURNAL;

MOLECULAR STRUCTURE; NONLINEAR DYNAMICS; OPTICAL PROCESSES; ORGANOMETALLIC COMPOUNDS; OXIDATION-REDUCTION; RHODIUM; SPECTROPHOTOMETRY;

EID: 84855248034     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.11.002     Document Type: Article

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