Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, Virginia 22904-4319, United States.
Inorg Chem. 2013 Sep 3;52(17):9989-93. doi: 10.1021/ic401857u. Epub 2013 Aug 15.
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 N≡U≡N and U≡N core molecules as terminal uranium nitrides with full triple bonds.
在 4 K 共沉积过程中，激光烧蚀的 U 原子与过量氩气中的 N2 分子反应，产生强烈的 NUN 和较弱的 UN 吸收。退火增加了新的 NUN(NN)1,2,3,4,5 和 NU(NN)1,2,3,4,5,6 铀氮化物配合物的吸收进展。当初级 NUN(NN)1,2,3,4,5 和 NU(NN)1,2,3,4,5,6 配合物周围的次级配位层从氩气变为氮气时，观察到较小的矩阵位移。电子结构和能量以及频率计算为这些配合物的鉴定以及进一步表征 N≡U≡N 和 U≡N 核分子作为具有完全三键的末端铀氮化物提供了支持。
