The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree-Fock and density functional methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 68, Issue 5, 2007, Pages 1347-1355

  Arslan, Hakan ^a   Flörke, Ulrich ^b   Külcü, Nevzat ^a   Binzet, Gün ^a  

^a MERSIN UNIVERSITY   (Turkey)

^b UNIVERSITY OF PADERBORN   (Germany)

Author keywords

2 Chloro N (diethylcarbamothioyl)benzamide; DFT; HF; Infrared spectrum; Molecular calculations; Thiourea

Indexed keywords

INFRARED SPECTRUM; MOLECULAR CALCULATIONS; THIOUREA; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; VIBRATIONAL SPECTRA; X RAY DIFFRACTION;

AMIDES;

2 CHLORO N (DIETHYLCARBAMOTHIOYL)BENZAMIDE; 2-CHLORO-N-(DIETHYLCARBAMOTHIOYL)BENZAMIDE; BENZAMIDE; BENZAMIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; THERMODYNAMICS; VIBRATION; X RAY CRYSTALLOGRAPHY;

BENZAMIDES; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; VIBRATION;

EID: 36349019630     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2007.02.015     Document Type: Article

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