FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines

Syntheses of the first Cu(NH3)2(FOX)2 and various Cu(amine)2(FOX)2 (methyl, propyl, and dimethyl amine) complexes were achieved by using metathetical reactions which add a new chapter to the metal chemistry of FOX-7 (1,1-diamino-2,2-dintroethene). The crystal structures of Cu(NH3)2(FOX)2 and Cu(C3H7NH2)2(FOX)2 which show square planar geometry at copper aid in the understanding of the bonding modes in FOX-7 copper complexes which is supported by natural bond orbital (NBO) calculations. Water-free K-FOX was also structured.本研究通过复分解反应，成功合成首例Cu(NH3)2(FOX)2以及多种Cu(amine)2(FOX)2（配体分别为甲基胺、丙基胺与二甲基胺）配合物，为FOX-7（1,1-二氨基-2,2-二硝基乙烯，1,1-diamino-2,2-dintroethene）的金属配位化学领域增添了新的研究篇章。Cu(NH3)2(FOX)2与Cu(C3H7NH2)2(FOX)2的晶体结构显示，中心铜离子呈现平面正方形配位构型，该结果有助于阐明FOX-7铜配合物的成键模式，自然键轨道（natural bond orbital, NBO）计算为该结论提供了理论支撑。无水K-FOX的晶体结构亦得到解析。