Comparative vibrational spectroscopic studies, HOMO-LUMO and NBO analysis of 5,7-dibromo-8-hydroxyquinoline and 5,7-dichloro-8-hydroxyquinoline based on Density Functional Theory

Journal of Molecular Structure

Volumn 1004, Issue 1-3, 2011, Pages 51-66

  Lakshmi, A ^a   Balachandran, V ^b   Janaki, A ^c  

^a H H THE RAJAH S COLLEGE   (India)

^b Arignar Anna Government Arts College   (India)

^c Government Arts College for Women (Autonomous)   (India)

Author keywords

5,7 Dibromo 8 hydroxyquinoline; 5,7 Dichloro 8 hydroxyquinoline; DFT; HOMO LUMO; NBO; Vibrational spectra

Indexed keywords

5,7-DIBROMO-8-HYDROXYQUINOLINE; 5,7-DICHLORO-8-HYDROXYQUINOLINE; DFT; HOMO-LUMO; NBO;

BROMINE; CHARGE TRANSFER; CHEMICAL BONDS; CHLORINE; SPECTROSCOPIC ANALYSIS; SPECTROSCOPY; VIBRATION ANALYSIS; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

EID: 80053568543     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.07.022     Document Type: Article

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