Vibrational spectra and structures of the anions of urazole and 4-methylurazole: DFT calculations of the normal modes and the influence of hydrogen bonding

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 3, 2011, Pages 918-925

  Ryall, John P ^a   Dines, Trevor J ^b   Chowdhry, Babur Z ^a   Leharne, Stephen A ^a   Withnall, Robert ^c  

^a UNIVERSITY OF GREENWICH   (United Kingdom)

^b UNIVERSITY OF DUNDEE   (United Kingdom)

^c BRUNEL UNIVERSITY   (United Kingdom)

Author keywords

4 Methylurazole; Anions; DFT; Hydrogen bonding; IR; Raman; Urazole

Indexed keywords

4-METHYLURAZOLE; ANIONS; DFT; HYDROGEN BONDING; IR; RAMAN; URAZOLE;

DEUTERIUM; HYDROGEN; HYDROGEN BONDS; RAMAN SPECTROSCOPY; SOLUTIONS; VIBRATIONAL SPECTRA;

NEGATIVE IONS;

ANION; TRIAZOLE DERIVATIVE; URAZOLE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

ANIONS; COMPUTER SIMULATION; HYDROGEN BONDING; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; TRIAZOLES; VIBRATION;

EID: 79951509234     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.10.028     Document Type: Article

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