Theoretical Study on Structure and Electronic Properties of 4H-Cyclopenta[2,1-b,3;4-b’]dithiopene S-oxide and Its CCl<sub>2</sub> and CF<sub>2</sub> Bridged Derivatives

Theoretical Study on Structure and Electronic Properties of 4H-Cyclopenta[2,1-b,3;4-b’]dithiopene S-oxide and Its CCl<sub>2</sub> and CF<sub>2</sub> Bridged Derivatives

Quantum chemical calculations using semi-empirical, ab initio, density functional theory (DFT) and Møller plesset (MP2) methods were performed on 4H-Cyclopenta[2,1-b,3;4-b’]dithiopene S-oxide derivatives (i.e. bridged dithiophene S-oxides, BTOs). The geometries, stabilities, electronic and thermodyn...

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Bibliographic Details
Main Authors: Banjo Semire, Olusegun Ayobami Odunola
Format: Article
Language:English
Published: Universitas Gadjah Mada 2015-03-01
Series:Indonesian Journal of Chemistry
Subjects:
electronic properties
bridged dithiophene S-oxides
quantum chemical methods
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/21229

Internet

https://jurnal.ugm.ac.id/ijc/article/view/21229

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