DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones

Deniz Hür

DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones

Abstract

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

Keywords

DFT,thermodynamic,kinetic control,benzotriazole

References

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Details

Primary Language

English

Subjects

-

Journal Section

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Authors

Deniz Hür This is me

Publication Date

August 1, 2007

Submission Date

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Acceptance Date

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Published in Issue

Year 2007 Volume: 35 Number: 3

IZ

https://izlik.org/JA89ZJ63LF

Cite

RIS / Bibtex

APA

Hür, D. (2007). DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones. Hacettepe Journal of Biology and Chemistry, 35(3), 187-193. https://izlik.org/JA89ZJ63LF

AMA

1.Hür D. DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones. HJBC. 2007;35(3):187-193. https://izlik.org/JA89ZJ63LF

Chicago

Hür, Deniz. 2007. “DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-Ones”. Hacettepe Journal of Biology and Chemistry 35 (3): 187-93. https://izlik.org/JA89ZJ63LF.

EndNote

Hür D (August 1, 2007) DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones. Hacettepe Journal of Biology and Chemistry 35 3 187–193.

IEEE

[1]D. Hür, “DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones”, HJBC, vol. 35, no. 3, pp. 187–193, Aug. 2007, [Online]. Available: https://izlik.org/JA89ZJ63LF

ISNAD

Hür, Deniz. “DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-Ones”. Hacettepe Journal of Biology and Chemistry 35/3 (August 1, 2007): 187-193. https://izlik.org/JA89ZJ63LF.

JAMA

1.Hür D. DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones. HJBC. 2007;35:187–193.

MLA

Hür, Deniz. “DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-Ones”. Hacettepe Journal of Biology and Chemistry, vol. 35, no. 3, Aug. 2007, pp. 187-93, https://izlik.org/JA89ZJ63LF.

Vancouver

1.Deniz Hür. DFT Thermochemical Investigation of Rearrangement for 3-Hydroxy Analogs of 2,3-Dihydrobenzothiophen-2- and -3-ones. HJBC [Internet]. 2007 Aug. 1;35(3):187-93. Available from: https://izlik.org/JA89ZJ63LF