Growth mechanisms of polypyrroles

被引:16
作者
Sargin, PS [1 ]
Toppare, L [1 ]
Yurtsever, E [1 ]
机构
[1] MIDDLE EAST TECH UNIV,DEPT CHEM,ANKARA 06531,TURKEY
关键词
polypyrroles; growth mechanisms; quantum-mechanical modelling;
D O I
10.1016/0032-3861(96)80841-X
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The oligomerization mechanisms of several derivatives of pyrrole have been studied by quantum-mechanical methods. Different growth processes are compared from the point of view of thermodynamic stabilities to gain insight into the branching possibilities. For the simple polypyrrole, polymerization may proceed through either an a or a beta carbon with equal probabilities. When an aldehyde group is attached to the nitrogen, beta positions are definitely favoured owing to strong steric hindrance. For 2-pyrrole carboxaldehyde and 3-pyrrole carboxaldehyde, the most stable forms of the bonding are alternating ones that go through alpha-beta pairs.
引用
收藏
页码:1151 / 1155
页数:5
相关论文
共 10 条
[1]   ORGANIC POLYMERS BASED ON AROMATIC RINGS (POLYPARAPHENYLENE, POLYPYRROLE, POLYTHIOPHENE) - EVOLUTION OF THE ELECTRONIC-PROPERTIES AS A FUNCTION OF THE TORSION ANGLE BETWEEN ADJACENT RINGS [J].
BREDAS, JL ;
STREET, GB ;
THEMANS, B ;
ANDRE, JM .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (03) :1323-1329
[2]  
MEYERS F, 1991, SYNTHETIC MET, V41, P3559
[3]  
*MOPAC VER 5, QUAN CHEM PROG EXCH
[4]   STRUCTURAL STUDY OF 2 CONDUCTING POLYMERS - POLY(PYRROLE) AND POLY(THIOPHENE) [J].
ORCHARD, BJ ;
FREIDENREICH, B ;
TRIPATHY, SK .
POLYMER, 1986, 27 (10) :1533-1541
[5]   CONFORMATIONAL BEHAVIOR OF 2,2'-BIPYRROLE - AN ABINITIO APPROACH [J].
ORTI, E ;
SANCHEZMARIN, J ;
TOMAS, F .
THEORETICA CHIMICA ACTA, 1986, 69 (01) :41-49
[6]  
ORTI E, 1985, J MOL STRUCT THEOCHE, V124, P307
[7]   ELECTRONIC-PROPERTIES OF MISLINKED POLYPYRROLE AND POLYTHIOPHENE [J].
TANAKA, K ;
SHICHIRI, T ;
YAMABE, T .
SYNTHETIC METALS, 1986, 14 (04) :271-277
[8]   THEORETICAL-STUDY OF POLYMERIZATION OF PYRROLE [J].
TANAKA, K ;
SHICHIRI, T ;
TORIUMI, M ;
YAMABE, T .
SYNTHETIC METALS, 1989, 30 (03) :271-281
[9]   CONFIGURATIONAL PROPERTIES OF POLYPYRROLE CHAINS [J].
YURTSEVER, E ;
ERMAN, B .
POLYMER, 1993, 34 (18) :3887-3892
[10]  
YURTSEVER E, 1993, J MOL STRUC-THEOCHEM, V280, P1