ON THE PROBLEM OF PI-ELECTRON DELOCALIZATION ACROSS SP3 CARBON-ATOMS INTRODUCED AS EFFECTS IN POLYACETYLENE

被引:14
作者
NAVARRETE, JTL [1 ]
ZERBI, G [1 ]
机构
[1] UNIV MALAGA,DEPT QUIM FIS,MALAGA,SPAIN
关键词
D O I
10.1016/0038-1098(87)90616-8
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:1183 / 1186
页数:4
相关论文
共 13 条
[1]   SOLITONS AND POLARONS IN POLYACETYLENE - SELF-CONSISTENT-FIELD CALCULATIONS OF THE EFFECT OF NEUTRAL AND CHARGED DEFECTS ON MOLECULAR-GEOMETRY [J].
BOUDREAUX, DS ;
CHANCE, RR ;
BREDAS, JL ;
SILBEY, R .
PHYSICAL REVIEW B, 1983, 28 (12) :6927-6936
[2]   CHAIN-LENGTH DEPENDENCE OF ELECTRONIC AND ELECTROCHEMICAL PROPERTIES OF CONJUGATED SYSTEMS - POLYACETYLENE, POLYPHENYLENE, POLYTHIOPHENE, AND POLYPYRROLE [J].
BREDAS, JL ;
SILBEY, R ;
BOUDREAUX, DS ;
CHANCE, RR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (22) :6555-6559
[3]  
BREDAS JL, 1983, J PHYS, V373
[4]   NEUTRAL AND CHARGED SOLITON DEFECTS IN POLYACETYLENE [J].
CHANCE, RR ;
BOUDREAUX, DS ;
BREDAS, JL ;
SILBEY, R .
PHYSICAL REVIEW B, 1983, 27 (02) :1440-1442
[5]   GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917
[6]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[7]   VIBRATIONAL SPECTROSCOPIC STUDY ON PARTLY HYDROGENATED TRANS-POLYACETYLENES [J].
FURUKAWA, Y ;
ARAKAWA, T ;
TAKEUCHI, H ;
HARADA, I ;
SHIRAKAWA, H .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07) :2907-2914
[8]   STRUCTURAL-PROPERTIES OF TRANS-(CH)X AND CIS-(CH)X [J].
KAHLERT, H ;
LEITNER, O ;
LEISING, G .
SYNTHETIC METALS, 1987, 17 (1-3) :467-472
[9]  
NAVARRETE JTL, IN PRESS
[10]  
PRON A, 1987, POLYM COMMUN, V28, P27