一硝基和二硝基 BN-萘：形成与特性。
Mono- and Dinitro-BN-Naphthalenes: Formation and Characterization.
机构信息
Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94550, USA.
Naval Research Laboratory, 4555 Overlook Ave, Washington, DC 20375, USA.
出版信息
Molecules. 2021 Jul 11;26(14):4209. doi: 10.3390/molecules26144209.
Mono- and dinitro-BN-naphthalenes, i.e., 1-nitro-, 3-nitro-, 1,6-dinitro-, 3,6-dinitro-, and 1,8-dinitro-BNN, were generated in the nitration of 9,10-BN-naphthalene (BNN), a boron-nitrogen (BN) bond-embedded naphthalene, with AcONO and NOBF in acetonitrile. The nitrated products were isolated and characterized by NMR, GC-MS, IR, and X-ray single crystallography. The effects of the nitration on the electron density and aromaticity of BNN were evaluated by B-11 NMR analysis and HOMA calculations.
单和二硝基-BN-萘，即 1-硝基-、3-硝基-、1,6-二硝基-、3,6-二硝基-和 1,8-二硝基-BNN，是在用 AcONO 和 NOBF 在乙腈中硝化硼氮（BN）键嵌入的萘 9,10-BN-萘（BNN）时生成的。硝化产物通过 NMR、GC-MS、IR 和 X 射线单晶结构分析进行了分离和表征。通过 B-11 NMR 分析和 HOMA 计算评估了硝化对 BNN 电子密度和芳香性的影响。
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