Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): A detailed vibrational and NLO analysis

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 117, Issue , 2014, Pages 78-86

  Tamer, Ömer ^a   Avci, Davut ^a   Atalay, Yusuf ^a  

^a SAKARYA UNIVERSITY   (Turkey)

Author keywords

Conformational analysis; DFT calculations; N (2 hydroxybenzylidene)acetohydrazide (HBAH); NLO and NBO analysis

Indexed keywords

ACETOHYDRAZIDE; CONFORMATIONAL ANALYSIS; CONJUGATIVE INTERACTIONS; DFT CALCULATION; HOMO AND LUMO ENERGIES; INTRAMOLECULAR HYDROGEN BONDING; NBO ANALYSIS; POTENTIAL ENERGY DISTRIBUTION;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR ORBITALS; ULTRAVIOLET VISIBLE SPECTROSCOPY;

CHEMICAL ANALYSIS;

BENZYLIDENE DERIVATIVE; HYDRAZINE DERIVATIVE; N (2 HYDROXYBENZYLIDENE)ACETOHYDRAZIDE; N-(2-HYDROXYBENZYLIDENE)ACETOHYDRAZIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATIONAL ANALYSIS; DFT CALCULATIONS; HYDROGEN BOND; INFRARED SPECTROSCOPY; N-(2-HYDROXYBENZYLIDENE)ACETOHYDRAZIDE (HBAH); NLO AND NBO ANALYSIS; NONLINEAR SYSTEM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; VIBRATION;

CONFORMATIONAL ANALYSIS; DFT CALCULATIONS; N-(2-HYDROXYBENZYLIDENE)ACETOHYDRAZIDE (HBAH); NLO AND NBO ANALYSIS;

BENZYLIDENE COMPOUNDS; HYDRAZINES; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; NONLINEAR DYNAMICS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION;

EID: 84884518548     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.07.112     Document Type: Article

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