TY - JOUR
T1 - Infrared spectra and electronic structure calculations for the NUN(NN) 1-5 and NU(NN)1-6 complexes in solid argon
AU - Andrews, Lester
AU - Wang, Xuefeng
AU - Gong, Yu
AU - Vlaisavljevich, Bess
AU - Gagliardi, Laura
PY - 2013/9/2
Y1 - 2013/9/2
N2 - Reactions of laser-ablated U atoms with N2 molecules in excess argon during co-deposition at 4 K gave intense NUN and weaker UN absorptions. Annealing increased progressions of new absorptions for the NUN(NN) 1,2,3,4,5 and NU(NN)1,2,3,4,5,6 uranium nitride complexes. Small matrix shifts are observed when the secondary coordination layers around the primary NUN(NN)1,2,3,4,5 and NU(NN)1,2,3,4,5,6 complexes are changed from argon to nitrogen. Electronic structure and energy and frequency calculations provide support for the identification of these complexes and further characterization of the Nî - Uî - N and Uî - N core molecules as terminal uranium nitrides with full triple bonds.
AB - Reactions of laser-ablated U atoms with N2 molecules in excess argon during co-deposition at 4 K gave intense NUN and weaker UN absorptions. Annealing increased progressions of new absorptions for the NUN(NN) 1,2,3,4,5 and NU(NN)1,2,3,4,5,6 uranium nitride complexes. Small matrix shifts are observed when the secondary coordination layers around the primary NUN(NN)1,2,3,4,5 and NU(NN)1,2,3,4,5,6 complexes are changed from argon to nitrogen. Electronic structure and energy and frequency calculations provide support for the identification of these complexes and further characterization of the Nî - Uî - N and Uî - N core molecules as terminal uranium nitrides with full triple bonds.
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U2 - 10.1021/ic401857u
DO - 10.1021/ic401857u
M3 - Article
C2 - 23944737
AN - SCOPUS:84883507392
SN - 0020-1669
VL - 52
SP - 9989
EP - 9993
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 17
ER -