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...
Main Authors: | Cemal Parlak, Özgür Alver |
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Format: | Article |
Language: | English |
Published: |
Pamukkale University
2016-12-01
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Series: | Pamukkale University Journal of Engineering Sciences |
Subjects: | |
Online Access: | https://dergipark.org.tr/tr/pub/pajes/issue/27232/286429 |
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