CO-Induced Dinitrogen Fixation and Cleavage Mediated by Boron

Guohai Deng, Sudip Pan, Xuelin Dong, Guanjun Wang, Lili Zhao, Mingfei Zhou, Gernot Frenking

科研成果: 期刊稿件文章同行评审

25 引用 (Scopus)

摘要

The boron atoms react with carbon monoxide and dinitrogen forming the end-on bonded NNBCO complex in solid neon or in nitrogen matrices. The NNBCO complex rearranges to the (η2-N2)BCO isomer with a more activated side-on bonded dinitrogen ligand upon visible light excitation. (η2-N2)BCO and its weakly CO-coordinated complexes further isomerize to the NBNCO and B(NCO)2 molecules with N−N bond being completely cleaved under UV light irradiation. The geometries, energies and vibrational spectra of the molecules are calculated with quantum chemical methods and the electronic structures are analyzed with charge- and energy-partitioning methods.

源语言英语
页(从-至)2131-2137
页数7
期刊Chemistry - A European Journal
27
6
DOI
出版状态已出版 - 26 1月 2021

指纹

探究 'CO-Induced Dinitrogen Fixation and Cleavage Mediated by Boron' 的科研主题。它们共同构成独一无二的指纹。

引用此