DFT evaluation of the electronic structures and spectroscopic properties of the self-assembled [Pt2M4(C ≡ CH)8] (M=Cu, Ag) clusters

Science in China, Series B: Chemistry

Volumn 52, Issue 11, 2009, Pages 1954-1960

  Bai, Fuquan ^a   Xia, Baohui ^a   Zhang, Hongxing ^a   Yang, Baozhu ^a   Wang, Jian ^a   Sun, Lei ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Electronic structures; Heteropolynuclear complexes; Luminescence behavior; TDDFT

Indexed keywords

AG ATOMS; CU ATOMS; EMISSION WAVELENGTH; GROUND STATE GEOMETRY; HETEROPOLYNUCLEAR COMPLEXES; HOMOLEPTIC; HYPSOCHROMIC SHIFTS; METAL-TO-LIGAND CHARGE TRANSFER; POLARIZABLE CONTINUUM MODEL; SELF-ASSEMBLED; SPECTROSCOPIC PROPERTY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV-VIS SPECTRA; VAN DER WAALS RADIUS; WEAK INTERACTIONS;

ATOMS; CHARGE TRANSFER; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; EXCITED STATES; ION EXCHANGE; LUMINESCENCE; MASS TRANSFER; PLATINUM; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

PLATINUM COMPOUNDS;

EID: 72149105894     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-009-0277-7     Document Type: Article

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