FT-IR and theoretical study of 3,5-dimethyl-1H-pyrazole-1-carboxamidine (L) and the complexes CoL2(H2O)2(NO3)2, NiL2(H2O)2(NO3)2

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 4, 2008, Pages 1466-1473

  Pogány, Peter ^a   Kovács, Attila ^a   Szécsényi, Katalin Mészáros ^b   Leovac, Vukadin M ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITY OF NOVI SAD   (Serbia)

Author keywords

3,5 Dimethyl 1H pyrazole 1 carboxamidine; DFT computations; FT IR; Scaled quantum mechanical analysis; Transition metal complexes

Indexed keywords

CHARGE TRANSFER; ION EXCHANGE; METALLIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXAMIDINE; CHARGE TRANSFER INTERACTIONS; DFT COMPUTATIONS; FT-IR; IR-SPECTRA; NATURAL BOND ORBITAL ANALYSIS; NORMAL COORDINATE ANALYSES; PYRAZOLE; SCALED QUANTUM MECHANICAL ANALYSIS; SCALED QUANTUM MECHANICAL FORCE FIELDS; VIBRATIONAL DATUM;

METAL COMPLEXES;

3,5 DIMETHYLPYRAZOLE 1 CARBOXAMIDINE; 3,5-DIMETHYLPYRAZOLE-1-CARBOXAMIDINE; AMIDINE; ION; LIGAND; ORGANOMETALLIC COMPOUND; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; INFRARED SPECTROSCOPY; MECHANICAL STRESS; METHODOLOGY; QUANTUM THEORY; STATISTICAL MODEL; THEORETICAL MODEL;

AMIDINES; IONS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SOFTWARE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; STRESS, MECHANICAL; WATER;

EID: 54149085529     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.05.002     Document Type: Article

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