当前位置: X-MOL 学术Z. Krist. Cryst. Mater. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Attractive fluorine···fluorine interactions between perfluorinated alkyl chains: a case of perfluorinated Cu(II) diiminate Cu[C2F5–C(NH)–CF=C(NH)–CF3]2
Zeitschrift für Kristallographie - Crystalline Materials ( IF 0.9 ) Pub Date : 2021-04-01 , DOI: 10.1515/zkri-2021-2009
Victor N. Khrustalev 1, 2 , Anna O. Savchenko 1 , Anna I. Zhukova 1 , Natalia Yu. Chernikova 1 , Michael A. Kurykin 3 , Alexander S. Novikov 4 , Alexander G. Tskhovrebov 1, 5
Affiliation  

A synthesis of the perfluorinated copper diiminate complex Cu[C 2 F 5 –C(NH)–CF=C(NH)–CF 3 ] 2 ( 3 ) and its self-assembly into infinite 1D chains in the crystal via Type II C(sp 3 )–F···F–C(sp 3 ) contacts between perfluoroethyl substituents is reported. Rare Type II F···F interactions were studied by DFT calculations and topological analysis of the electron density distribution within the formalism of Bader’s theory (QTAIM method). This is the first report which discusses Type II contacts between perfuoroalkyl chains.

中文翻译:

全氟烷基链之间有吸引力的氟··氟相互作用:以全氟铜(II)二酰亚胺Cu [C2F5–C(NH)–CF = C(NH)–CF3] 2为例

全氟化亚铜铜络合物Cu [C 2 F 5 –C(NH)–CF = C(NH)–CF 3] 2(3)的合成及其通过II C型自组装成晶体中的无限一维链报告了(sp 3)–F···FC–C(sp 3)在全氟乙基取代基之间的接触。通过DFT计算和电子密度分布的拓扑分析,在Bader理论(QTAIM方法)的形式主义范围内,研究了稀有的II型F···F相互作用。这是第一份讨论全氟烷基链之间的II型接触的报告。
更新日期:2021-04-18
down
wechat
bug