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

National University of Singapore

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 - Mok, C. Y.

AU - Huang, H. H.

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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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