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Probing the Chemical Nature of Dihydrogen Complexation to Transition Metals, a Gas Phase Case Study: H₂-CuF
Inorganic Chemistry
  • Daniel J. Frohman
  • Garry S. Grubbs, Missouri University of Science and Technology
  • Zhenhong Yu
  • Stewart E. Novick
Abstract

This work details a gas phase study of the bonding of hydrogen to the metal in a simple diatomic analogue of a metal organic framework (MOF), copper fluoride, via dihydrogen complexation. This is the first microwave study of these types of interactions. J = 1-0 transitions of para-H2-CuF, ortho-D2-CuF, and HD-CuF have been measured and analyzed. the complexes were prepared by laser ablating a metal copper rod in the presence of a gas mix of 0.6% SF6 and 3% H2 in Ar undergoing supersonic expansion. the binding energy of this complex is addressed through quantum chemical calculations and measured nuclear quadrupole coupling constants for copper and deuterium. the significant change in the calculated binding energy and nuclear quadrupole coupling constants in relation to similar molecules suggest bonding greater than that typical of van der Waals interactions.

Department(s)
Chemistry
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2013 American Chemical Society (ACS), All rights reserved.
Publication Date
1-1-2013
Publication Date
01 Jan 2013
Disciplines
Citation Information
Daniel J. Frohman, Garry S. Grubbs, Zhenhong Yu and Stewart E. Novick. "Probing the Chemical Nature of Dihydrogen Complexation to Transition Metals, a Gas Phase Case Study: H₂-CuF" Inorganic Chemistry Vol. 52 Iss. 2 (2013) p. 816 - 822 ISSN: 0020-1669
Available at: http://works.bepress.com/garry-grubbs/23/