Carbonyl stretching vibrations of 5-halogen-2-thiophenecarboxaldehydes: KBM, AN, SWAIN and LSER parameters

Carbonyl stretching vibrations of 5-halogen-2-thiophenecarboxaldehydes: KBM, AN, SWAIN and LSER parameters

Halogen and solvent influence on the conformational stability and carbonyl stretching vibration of 5-Halogeno-2-thiophenecarboxaldehydes (C5H3XOS; X=F, Cl or Br) were investigated by the density functional theory using the B3LYP functional, 6-311+G(3df,p) basis set and polarizable continuum model. C...

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Bibliographic Details
Main Authors: Cemal Parlak, Özgür Alver
Format: Article
Language:English
Published: Pamukkale University 2016-12-01
Series:Pamukkale University Journal of Engineering Sciences
Subjects:
5-halojen-2-tiyofenkarboksaldehit
yft
çözücü etkisi
5-halogeno-2-thiophenecarboxaldehyde
dft
solvent effect
Online Access:https://dergipark.org.tr/tr/pub/pajes/issue/27232/286429

Internet

https://dergipark.org.tr/tr/pub/pajes/issue/27232/286429

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