TD-DFT investigation of triple-stranded helicates with bis(benzene-o- dithiolato) ligands

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 3, 2011, Pages 1037-1045

  Gancheff, Jorge S ^a  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

Author keywords

Bis bdt ligands; Electronic spectrum; Helicate; Supramolecular chemistry; TD DFT

Indexed keywords

ABSORPTION BAND; B3LYP/LANL2DZ; BIS-BDT LIGANDS; DFT LEVELS; DINUCLEAR COMPLEX; ELECTRONIC SPECTRUM; ENERGY REGIONS; HELICATE; HELICATES; LIGAND-TO-METAL CHARGE TRANSFERS; MOLAR ABSORPTION COEFFICIENT; ORBITALS; OUT-OF-PLANE; TD-DFT; TITANIUM-BASED;

ABSORPTION; ABSORPTION SPECTROSCOPY; AROMATIC COMPOUNDS; BENZENE; CHARGE TRANSFER; ETHANE; ION EXCHANGE; MACROMOLECULES; MASS TRANSFER; SUPRAMOLECULAR CHEMISTRY; TITANIUM; TITANIUM COMPOUNDS;

LIGANDS;

BENZENE; LIGAND; TITANIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

BENZENE; LIGANDS; MOLECULAR STRUCTURE; QUANTUM THEORY; TITANIUM;

EID: 79951516443     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.12.042     Document Type: Article

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