首页   按字顺浏览 期刊浏览 卷期浏览 Theoretical Studies on Radical Spin Arrangements in the Cavity of Nanoporous Complexes
Theoretical Studies on Radical Spin Arrangements in the Cavity of Nanoporous Complexes

 

作者: TakashI. Kawakami,   SatoshI. Takamizawa,   Yasutaka Kitagawa,   Fumitake Matsuoka,   Tadashi Maruta,   Wasuke Mori,   Kizashi Yamaguchi,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  （Taylor Available online 2000）
卷期: Volume 343, issue 1  

页码: 215-220

 

ISSN:1058-725X

 

年代: 2000

 

DOI:10.1080/10587250008023529

 

出版商: Taylor & Francis Group

 

关键词: adsorption;Monte Carlo simulation;molecular mechanics;abinitioMO calculation;magnetic interaction;effective exchange interaction

 

数据来源: Taylor

 

摘要:

Adsorption properties in nanoporous crystals, especially Zn(BDC) (BDC=1.4-benzenedicar-boxylate) crystal, were studied theoretically. For sorbed molecules N2and CO2were employed and gas adsorption isotherms were obtained. In addition, O2as S=1 magnetic radical species was also treated in order to study the magnetic properties. Magnetic interaction between O2pairs exists and these cooperation might run in the nanoporous cavity. These results lead new approach to arrangement of organic spin radical sources and it is found that nanoporous organic-metal crystals are useful for controlling their position and orientation.

 

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