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Reactions of Laser‐Ablated U Atoms with HCN: Infrared Spectra in Solid Argon and Quantum Chemical Calculations for HUNC
Author(s) -
Gong Yu,
Cho HanGook,
Andrews Lester
Publication year - 2015
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201500317
Subject(s) - chemistry , argon , infrared , metal , infrared spectroscopy , atomic physics , laser , matrix isolation , spectral line , analytical chemistry (journal) , optics , organic chemistry , physics , astronomy
Reactions of laser‐ablated U atoms with HCN produce HUNC, which is identified from its argon matrix infrared spectrum of strong N–C and U–H stretching modes at 2028 and 1417 cm –1 . B3LYP calculations show that the unobserved HUCN isomer has a 6.3 kcal/mol higher energy, and its C–N stretching mode is about 125 cm –1 higher with more than an order of magnitude weaker intensity. Complementary experiments were done with thorium and group 4 metal atoms to form the analogous HMNC species for comparison and to demonstrate metal dependence for these new metal‐bearing product absorptions.