CONFORMATIONAL ORIGIN OF PEAK STRUCTURE ARISING IN THE XPS SPECTRUM OF AN ISOTACTIC POLYPROPYLENE

被引：38

作者：

DELHALLE, J

MONTIGNY, R

DEMANET, C

ANDRE, JM

机构：

[1] Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, Namur, B-5000, Rue de Bruxelles

来源：

THEORETICA CHIMICA ACTA | 1979年 / 50卷 / 04期

关键词：

Crystal orbital calculation; Stereoregular polymers;

D O I：

10.1007/BF00551341

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Extended Hückel crystal orbital (EHCO) calculations on zig-zag planar and helical conformations of regular infinite (model) isotactic polypropylene are reported. Significant changes in the theoretical XPS spectra and comparison with experimental data support the idea of possible detection of conformations in the case of good stereoregular polymers. © 1979 Springer-Verlag.

引用

页码：343 / 349

页数：7

共 16 条

[1] SOME EXPERIMENTAL AND THEORETICAL ASPECTS OF STRUCTURE, BONDING AND REACTIVITY OF ORGANIC AND POLYMERIC SYSTEMS AS REVEALED BY ESCA [J].

CLARK, DT .

PHYSICA SCRIPTA, 1977, 16 (5-6) :307-328

[2]

DAUDEL R, 1971, SEMIEMPIRICAL WAVE M

[3] COMPUTATION OF ELECTRONIC DENSITY OF STATES DISTRIBUTIONS OF STEREOREGULAR POLYMERS [J].

DELHALLE, J ;

DELHALLE, S .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (02) :349-358

[4] ELECTRONIC-STRUCTURE OF POLYETHYLENE - THEORY AND ESCA MEASUREMENTS [J].

DELHALLE, J ;

ANDRE, JM ;

DELHALLE, S ;

PIREAUX, JJ ;

CAUDANO, R ;

VERBIST, JJ .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) :595-600

[5] ELECTRONIC-STRUCTURE OF LINEAR FLUOROPOLYMERS - THEORY AND ESCA MEASUREMENTS REVISITED [J].

DELHALLE, J ;

DELHALLE, S ;

ANDRE, JM ;

PIREAUX, JJ ;

RIGA, J ;

CAUDANO, R ;

VERBIST, JJ .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1977, 12 (03) :293-303

[6]

DELHALLE J, 1973, B SOC CHIM BELGES, V83, P107

[7]

DELHALLE S, 1975, B SOC CHIM BELG, V84, P1071

[8]

Gelius U., 1972, ELECTRON SPECTROSCOP, P311

[9] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

[10]

Johnson C., 1965, ORNL3794

← 1 2 →