UV-Vis absorption study of cis- and trans-poly(phenylacetylene)s based on CNDO/S calculation

被引：7

作者：

Ishii, F ^{[1
]}

Matsunami, S

Shibata, M

Kakuchi, T

机构：

[1] Hokkaido Univ, Grad Sch Engn, Div Appl Phys, Sapporo, Hokkaido 0608628, Japan

[2] Hokkaido Univ, Grad Sch Environm Earth Sci, Div Biosci, Sapporo, Hokkaido 0608628, Japan

来源：

POLYMER JOURNAL | 1999年 / 31卷 / 01期

关键词：

UV-Vis absorption; cis- and trans-poly(phenylacetylene)s; CNDO/S calculation;

D O I：

10.1295/polymj.31.84

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Before and after the thermal isomerization, the observed ultraviolet-visible (UV-Vis) absorptions of the phenyl,groups and conjugated main chain for cis- and trans-poly(phenylacetylene)s (PPAs) in solution were investigated on the basis of CNDO/S calculation for the cis-transoidal and +/-tau degrees-deflected trans-transoidal structures. The two kinds of the UV-Vis absorption peaks were observed at 263 and 390 nm for the cis-transoidal PPA and at 227 and 248 nm for 90 degrees-deflected trans-transoidal PPA, which were due to the pi-pi* transitions of phenyl groups and the conjugated bonds in the main chain. After cis-trans isomerization, the larger blue shift of the pi-pi* transition absorption in the UV spectrum was confirmed from the CNDO/S calculation for the +/-90 degrees-deflected trans-transoidal structures.

引用

页码：84 / 88

页数：5

共 13 条

[1]

Bene J. D., 1968, J CHEM PHYS, V48, P4050

[2]

BERLIN AA, 1967, VYSOKOMOL SOEDIN A, V9, P1840

[3] SYNTHESIS OF POLYENES THAT CONTAIN METALLOCENES VIA THE LIVING POLYMERIZATION OF ETHYNYLFERROCENE AND ETHYNYLRUTHENOCENE [J].

BUCHMEISER, M ;

SCHROCK, RR .

MACROMOLECULES, 1995, 28 (19) :6642-6649

[4]

FURLANI A, 1986, POLYM BULL, V16, P311

[5]

ISHII F, UNPUB J POLYM SCI B

[6] CROWNED POLYACETYLENE .1. SYNTHESIS AND CHARACTERIZATION OF POLY(4'-ETHYNYLBENZO-15-CROWN-5) [J].

KAKUCHI, T ;

MATSUNAMI, S ;

KAMIMURA, H ;

ISHII, F ;

UESAKA, T ;

YOKOTA, K .

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 1995, 33 (09) :1431-1436

[7] Crowned polyacetylene.: 4.: Solid state NMR studies on molecular motions and cis-trans isomerization of poly(4′-ethynylbenzo-15-crown-5) [J].

Kakuchi, T ;

Matsunami, S ;

Tsuda, K ;

Ishii, F .

POLYMER BULLETIN, 1998, 40 (4-5) :533-540

[8] CROWNED POLYACETYLENE .2. CIS FORM DETERMINATION OF POLY(4'-ETHYNYLBENZO-15-CROWN-5) BY SOLID-STATE NMR METHOD [J].

KAKUCHI, T ;

MATSUNAMI, S ;

KAMIMURA, H ;

ISHII, F .

JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1995, 33 (15) :2151-2158

[9] Thermal isomerization of cis-poly(phenylacetylene). Scission of polymer main-chain and formation of 1,3,5-triphenylbenzene as a pyrolysis product [J].

Matsunami, S ;

Watanabe, T ;

Kamimura, H ;

Kakuchi, T ;

Ishii, F ;

Tsuda, K .

POLYMER, 1996, 37 (21) :4853-4855

[10] Deuterium nuclear quadrupole coupling and cis-trans isomerization in poly(phenylacetylene-d(1)) [J].

Matsunami, S ;

Kakuchi, T ;

Ishii, F .

MACROMOLECULES, 1997, 30 (04) :1074-1078

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