THEORETICAL-STUDIES OF MAGNETIC ORDERINGS IN THE BETA-PHASE AND GAMMA-PHASE OF P-NPNN AND RELATED NITROXIDES

被引：26

作者：

OKUMURA, M ^{[1
]}

MORI, W ^{[1
]}

YAMAGUCHI, K ^{[1
]}

机构：

[1] OSAKA UNIV,FAC SCI,DEPT CHEM,TOYONAKA,OSAKA 560,JAPAN

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1993年 / 232卷

关键词：

D O I：

10.1080/10587259308035696

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Intermolecular spin alignment rules are derived on the basis of ab initio results obtained for clusters of triplet carbenes, free radicals, etc. Interrelationships between several theoretical models are also clarified. The APUHF calculations are performed for radical pairs in the beta- and gamma-phase crystals of para-nitrophenyl nitronyl nitroxide. The magnetic transition temperatures are calculated by the use of Langevin-Weiss type mean-field theory combined with the calculated effective exchange integrals. The origins of ferromagnetic interactions in both the phases are discussed in relation to the intermolecular spin alignment rules.

引用

页码：35 / 44

页数：10

共 16 条

[1]

ANDERSON PW, 1963, SOLID STATE PHYS, V14, P99

[2] FERROMAGNETIC AND ANTIFERROMAGNETIC INTERMOLECULAR INTERACTIONS OF ORGANIC RADICALS, ALPHA-NITRONYL NITROXIDES .2. [J].