Electronic structure of thiophenes with mixed substituents

I. Novak; S. C. Ng; Y. T. Chua; C. Y. Mok; H. H. Huang

doi:10.1016/0368-2048(93)85016-E

Electronic structure of thiophenes with mixed substituents

I. Novak, S. C. Ng, Y. T. Chua, C. Y. Mok, H. H. Huang

Agricultural, Environmental and Veterinary Sciences

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

He I photoelectron spectra of title compounds were recorded and assigned by MNDO-PM3 calculations and comparison with spectra of related derivatives. Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the ring. MNDO-PM3 calculation results become unreliable in cases of thiophenes with widely different substituent types.

Original language	English
Pages (from-to)	85-90
Number of pages	6
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	63
Issue number	1
DOIs	https://doi.org/10.1016/0368-2048(93)85016-E
Publication status	Published - 01 Jul 1993

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abstract = "He I photoelectron spectra of title compounds were recorded and assigned by MNDO-PM3 calculations and comparison with spectra of related derivatives. Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the ring. MNDO-PM3 calculation results become unreliable in cases of thiophenes with widely different substituent types.",

author = "I. Novak and Ng, {S. C.} and Chua, {Y. T.} and Mok, {C. Y.} and Huang, {H. H.}",

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AU - Novak, I.

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AU - Chua, Y. T.

AU - Mok, C. Y.

AU - Huang, H. H.

PY - 1993/7/1

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N2 - He I photoelectron spectra of title compounds were recorded and assigned by MNDO-PM3 calculations and comparison with spectra of related derivatives. Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the ring. MNDO-PM3 calculation results become unreliable in cases of thiophenes with widely different substituent types.

AB - He I photoelectron spectra of title compounds were recorded and assigned by MNDO-PM3 calculations and comparison with spectra of related derivatives. Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the ring. MNDO-PM3 calculation results become unreliable in cases of thiophenes with widely different substituent types.

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Electronic structure of thiophenes with mixed substituents

Abstract

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