FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 5, 2011, Pages 962-969

  Mahadevan, D ^a   Periandy, S ^b   Ramalingam, S ^c  

^a Govt Arts College   (India)

^b Tagore Arts College   (India)

^c A V C COLLEGE AUTONOMOUS   (India)

Author keywords

1,3 Dichlorobenzene; Ab initio Hartree Fock; B3LYP; FT IR; FT Raman; Inductive effect

Indexed keywords

1,3-DICHLOROBENZENE; AB - INITIO HARTREE-FOCK; B3LYP; FT-IR; FT-RAMAN; INDUCTIVE EFFECTS;

BENZENE; CALCULATIONS; CHLORINE; MOLECULAR PHYSICS; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS;

AROMATIC POLYMERS;

1,3 DICHLOROBENZENE; 1,3-DICHLOROBENZENE; CHLOROBENZENE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

CHLOROBENZENES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 79960230355     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.04.003     Document Type: Article

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