Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 63, Issue 2, 2006, Pages 464-476

  Krishnakumar, V ^a   Balachandran, V ^b  

^a PERIYAR UNIVERSITY   (India)

^b THANTHAI HANS ROEVER COLLEGE   (India)

Author keywords

2 Hydroxy 3 methoxy 5 nitrobenzaldehyde; 2 Methoxy 1 naphthaldehyde; Conformational stability; DFT calculations; Vibrational frequencies

Indexed keywords

CONFORMATIONS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY;

CONFORMATIONAL STABILITY; VIBRATIONAL FREQUENCIES;

ALDEHYDES;

1 NAPHTHALDEHYDE; 1-NAPHTHALDEHYDE; 2 HYDROXY 3 METHOXY 5 NITROBENZALDEHYDE; 2 METHOXY 1 NAPHTHALDEHYDE; 2-HYDROXY-3-METHOXY-5-NITROBENZALDEHYDE; 2-METHOXY-1-NAPHTHALDEHYDE; ALDEHYDE; BENZALDEHYDE DERIVATIVE; NAPHTHALENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; VIBRATION;

ALDEHYDES; BENZALDEHYDES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NAPHTHALENES; VIBRATION;

EID: 31144479646     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.05.032     Document Type: Article

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