NORMAL VIBRATIONAL ANALYSIS OF CIS-POLYACETYLENE

WANG Jianling; JING Xiabin; FENG Zhiliu

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NORMAL VIBRATIONAL ANALYSIS OF CIS-POLYACETYLENE

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- NORMAL VIBRATIONAL ANALYSIS OF CIS-POLYACETYLENE
- Vol. 5, Issue 4, Pages: 308-315(1987)
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- Published：20 December 1987
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WANG Jianling, JING Xiabin, FENG Zhiliu. NORMAL VIBRATIONAL ANALYSIS OF CIS-POLYACETYLENE[J]. 1987, 5(4): 308-315.
DOI：

WANG Jianling, JING Xiabin, FENG Zhiliu. NORMAL VIBRATIONAL ANALYSIS OF CIS-POLYACETYLENE[J]. 1987, 5(4): 308-315. DOI：

摘要

The normal vibrational calculation was carried out on cis-polyacetylene(PA) and its model compound

cis

trans-2

4--hexadiene. Based on the observed IR and Raman frequencies

force constants relevant to the cis-structure were refined. Finally a force field common for cis-PA

trans-PA and three model moleculaes was obtained. The observed spectra of cis-PA were theoretically assigned and the similarities and differences between the cis-and trans-conjugate systems were discussed on the basis of normal coordinate calculation.

Abstract

The normal vibrational calculation was carried out on cis-polyacetylene(PA) and its model compound

cis

trans-2

4--hexadiene. Based on the observed IR and Raman frequencies

force constants relevant to the cis-structure were refined. Finally a force field common for cis-PA

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