Interactions of hydrogen in porous materials probed by rotational tunneling spectroscopy

Juergen Eckert

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A molecular-level understanding of the interactions of hydrogen at the various binding sites encountered in porous materials is of critical importance in the effort to obtain a practical material for hydrogen storage applications. One of the few molecular experimental probes available is the observation of transitions between the rotational energy levels of the bound H2 by inelastic neutron scattering spectroscopy. The lowest of these transitions may be described as a rotational tunneling transition and its observation provides extraordinarily fine detail on the interaction of molecular hydrogen with porous host materials, as well as provide an effective interface to computational studies, whereby direction for efforts to improve hydrogen interactions with such frameworks can be derived. We will delineate some important conclusions reached in our studies on zeolites, coordination polymers, including MOF's, on, for example, the effect of charged frameworks, interpenetrating frameworks, functionalization of organic links and of open metal sites.

Original languageEnglish
Title of host publicationAmerican Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers
StatePublished - 2009
Event237th National Meeting and Exposition of the American Chemical Society, ACS 2009 - Salt Lake City, UT, United States
Duration: Mar 22 2009Mar 26 2009

Publication series

NameACS National Meeting Book of Abstracts
ISSN (Print)0065-7727

Conference

Conference237th National Meeting and Exposition of the American Chemical Society, ACS 2009
CountryUnited States
CitySalt Lake City, UT
Period03/22/0903/26/09

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    Eckert, J. (2009). Interactions of hydrogen in porous materials probed by rotational tunneling spectroscopy. In American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers (ACS National Meeting Book of Abstracts).