期刊
JOURNAL OF MOLECULAR SPECTROSCOPY
卷 307, 期 -, 页码 20-26出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jms.2014.11.001
关键词
Infrared; Overtone; Spectroscopy; Hydrogen storage; Metal-organic frameworks; MOF-5; Mode coupling
资金
- National Science Foundation [CHE-1111896]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1111896] Funding Source: National Science Foundation
Overtone spectroscopy is used to observe the rovibrational spectra of the hydrogen isotopologues H-2, HD, and D-2 adsorbed in the metal-organic framework known as MOF-5. It is shown that the overtone spectrum facilitates the identification of hydrogen modes which are obscured in the fundamental region by the presence of MOF-5 features. Further, the overtone spectrum of H-2 at the primary adsorption site is greatly enhanced relative to other sites, and thus ambiguities about feature assignment can be avoided. The frequency (wavenumber) of the overtone modes are in good agreement with a Buckingham perturbative model while the relative intensity of the Q(2)(0) pure vibrational mode is found to be anomalously large, most likely arising through mode coupling to the MOF-5 framework. (C) 2014 Elsevier Inc. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据