Electronic structures and spectroscopic properties of rhenium (I) tricarbonyl photosensitizer: [Re(4,4′-(COOEt)2-2,2′-bpy)(CO)3py]PF6

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 5, 2009, Pages 2016-2022

  Gao, Yunling ^a   Sun, Shiguo ^b   Han, Keli ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory (DFT); Rhenium tricarbonyl complex; Time dependent density functional theory (TD DFT); Transition energy

Indexed keywords

ACETONE; ACETONITRILE; CHARGE TRANSFER; DICHLOROMETHANE; ELECTRONIC STRUCTURE; ETHANOL; ION EXCHANGE; LIGANDS; MASS TRANSFER; ORGANIC SOLVENTS; PHOTOSENSITIZERS; PROBABILITY DENSITY FUNCTION; RHENIUM; RHENIUM COMPOUNDS;

ABSORPTION MAXIMUMS; BIPYRIDINE; ELECTRONIC TRANSITION ENERGIES; EXCITED ENERGIES; EXPERIMENTAL SPECTRUMS; FUNCTIONALS; PHOTOPHYSICAL PROPERTIES; POLARIZABLE CONTINUUMS; SPECTROSCOPIC PROPERTIES; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TD-DFT); TRANSITION ENERGY; TRIPLET STATES;

DENSITY FUNCTIONAL THEORY;

ORGANOMETALLIC COMPOUND; PHOTOSENSITIZING AGENT; PYRIDINE DERIVATIVE; RHENIUM;

ABSORPTION; ARTICLE; ATOMIC ABSORPTION SPECTROMETRY; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; MACROMOLECULE;

ABSORPTION; COMPUTER SIMULATION; ELECTRONS; MACROMOLECULAR SUBSTANCES; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; PHOTOSENSITIZING AGENTS; PYRIDINES; RHENIUM; SPECTROPHOTOMETRY, ATOMIC;

EID: 56049084432     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.07.044     Document Type: Article

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