Neon Matrix Infrared Spectrum of WH6: A Distorted Trigonal Prism Structure
- 26 April 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 124 (20) , 5636-5637
- https://doi.org/10.1021/ja020216w
Abstract
Reactions of laser-ablated W atoms and H2 molecules during condensation in excess neon give the WH, WH2, WH3, WH4, and WH6 hydride products. WH6 absorptions increase on annealing to allow diffusion and further reaction of H2 and decrease on photolysis such that six infrared bands can be grouped and assigned to WH6. Excellent agreement between four observed neon matrix and four DFT calculated W−H stretching modes (two a1 and two e) and bending and deformation modes (a1 and e) confirms the present neon matrix preparation of WH6 and the previous theoretical predictions of a distorted trigonal prism structure which is far from octahedral.This publication has 20 references indexed in Scilit:
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