Molecular structure and spectroscopic studies on novel complexes of coumarin-3-carboxylic acid with Ni(II), Co(II), Zn(II) and Mn(II) ions based on density functional theory

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 84, Issue 1, 2011, Pages 275-285

  Creaven, B S ^a   Devereux, M ^a   Georgieva, I ^b   Karcz, D ^a   McCann, M ^c   Trendafilova, N ^b   Walsh, M ^a  

^a DUBLIN INSTITUTE OF TECHNOLOGY   (Ireland)

^b INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

^c NATIONAL UNIVERSITY OF IRELAND   (Ireland)

Author keywords

Coumarin; DFT modelling; IR; Metal complexes; NMR; TDDFT

Indexed keywords

BINDING MODES; BINUCLEAR STRUCTURE; CARBOXYLIC OXYGEN; COUMARIN; DFT MODELLING; HIGH SPINS; MAGNETIC SUSCEPTIBILITY MEASUREMENTS; MODEL CALCULATIONS; SPECTROSCOPIC STUDIES; SPIN STATE; TDDFT; UV-VIS SPECTROSCOPY;

BINDING ENERGY; CARBOXYLIC ACIDS; DENSITY FUNCTIONAL THEORY; MAGNETIC SUSCEPTIBILITY; MANGANESE; MANGANESE COMPOUNDS; METAL COMPLEXES; NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPIC ANALYSIS; ULTRAVIOLET SPECTROSCOPY; ZINC; ZINC COMPOUNDS;

COBALT COMPOUNDS;

COPPER; COUMARIN 3 CARBOXYLIC ACID; COUMARIN DERIVATIVE; COUMARIN-3-CARBOXYLIC ACID; ION; MANGANESE; METAL; NICKEL; ZINC;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; MAGNETISM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; ULTRAVIOLET SPECTROPHOTOMETRY;

COPPER; COUMARINS; IONS; MAGNETIC PHENOMENA; MAGNETIC RESONANCE SPECTROSCOPY; MANGANESE; METALS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NICKEL; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; ZINC;

EID: 80054910061     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.041     Document Type: Article

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