FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 75, Issue 1, 2010, Pages 183-190

  Swaminathan, J ^a   Ramalingam, M ^b   Sethuraman, V ^a   Sundaraganesan, N ^c   Sebastian, S ^c   Kurt, M ^d  

^a PERIYAR MANIAMMAI UNIVERSITY   (India)

^b PRIST UNIVERSITY   (India)

^c ANNAMALAI UNIVERSITY   (India)

^d AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

6 Aminopenicillanic acid; ab initio; DFT; FT IR; FT Raman

Indexed keywords

6-AMINOPENICILLANIC ACID; AB INITIO; AB INITIO AND DFT; BASIS SETS; FT-RAMAN; FTIR AND FT-RAMAN SPECTRA; GEOMETRICAL PARAMETERS; HF AND DFT CALCULATIONS; INFRARED SPECTRUM; QUANTUM-MECHANICAL CALCULATION; SPECTROGRAMS; THERMODYNAMIC PARAMETER; VIBRATIONAL FREQUENCY ANALYSIS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS; X RAY DATA;

ACIDS; GEOMETRY; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

6 AMINOPENICILLANIC ACID; DRUG DERIVATIVE; PENICILLANIC ACID;

ARTICLE; CHEMISTRY; INFRARED SPECTROSCOPY; METHODOLOGY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

PENICILLANIC ACID; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 72649103361     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.10.010     Document Type: Article

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