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Dergiler / Hacettepe Journal of Biology and Chemistry / 2007 / Cilt: 35 - Sayı: 3

DFT thermochemical investigation of rearrangement for 3-hydroxy analogs of 2,3-dihydrobenzothiophen-2-and -3-ones

Deniz HÜR
Sayfa
187–193
Yayın Tarihi
2022-10-17
DOI
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Thermodynamic and kinetic controlled reaction coordinate for the rearrangement of 2-benzotriazol-1-yl-2-alkyl-3- phenyl-2,3-dihydro-benzo[b]thiophen-3-ol derivatives have been predicted by using DFT calculated thermodynamic properties and comparing DFT calculated NMR and IR spectroscopic properties with experimental ones.

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Amaç & Hipotez:Thermodynamic and kinetic controlled reaction coordinate for the rearrangement of 2-benzotriazol-1-yl-2-alkyl-3- phenyl-2,3-dihydro-benzo[b]thiophen-3-ol derivatives have been predicted by using DFT calculated thermodynamic properties and comparing DFT calculated NMR and IR spectroscopic properties with experimental ones.
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Temel Bulgular & Veri:Thermodynamic and kinetic controlled reaction coordinate for the rearrangement of 2-benzotriazol-1-yl-2-alkyl-3- phenyl-2,3-dihydro-benzo[b]thiophen-3-ol derivatives have been predicted by using DFT calculated thermodynamic properties and comparing DFT calculated NMR and IR spectroscopic properties with experimental ones.
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Sonuç & Katkı:Thermodynamic and kinetic controlled reaction coordinate for the rearrangement of 2-benzotriazol-1-yl-2-alkyl-3- phenyl-2,3-dihydro-benzo[b]thiophen-3-ol derivatives have been predicted by using DFT calculated thermodynamic properties and comparing DFT calculated NMR and IR spectroscopic properties with experimental ones.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Alan Parametreleri

Abstract

Thermodynamic and kinetic controlled reaction coordinate for the rearrangement of 2-benzotriazol-1-yl-2-alkyl-3- phenyl-2,3-dihydro-benzo[b]thiophen-3-ol derivatives have been predicted by using DFT calculated thermodynamic properties and comparing DFT calculated NMR and IR spectroscopic properties with experimental ones.

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Bu Makaleye Atıf Yap

HÜR, D. (2022). DFT thermochemical investigation of rearrangement for 3-hydroxy analogs of 2,3-dihydrobenzothiophen-2-and -3-ones. Hacettepe Journal of Biology and Chemistry, Cilt: 35 - Sayı: 3, 187–193. https://ajindex.com/articles/529380

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Kaynakça (9)

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