Neutron powder diffraction study of D2 sorption in Cu3(1,3,5-benzenetricarboxylate)2

被引：237

作者：

Peterson, Vanessa K.

Liu, Yun

Brown, Craig M.

Kepert, Cameron J. ^{[1
]}

机构：

[1] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia

[2] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA

[3] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA

[4] Indiana Univ, Cyclotron Facil, Bloomington, IN 47408 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 128卷 / 49期

关键词：

D O I：

10.1021/ja0660857

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Rietveld analyses of neutron powder diffraction data of D2 in Cu3(BTC)2, where BTC = 1,3,5-benzenetricarboxylate, reveals the location and progressive filling of six distinct D2 sites within the nanopore structure. Location of the primary site at the coordinatively unsaturated Cu atoms provides direct structural evidence of the potential importance of such metal sites to hydrogen storage. Competitive loading of the other D2 sites proceeds with the pores filling from smallest to largest. Copyright © 2006 American Chemical Society.

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页码：15578 / 15579

页数：2

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