Structure and Properties of Fumaryl Fluoride

被引：10
|
作者：
Bayer, Marie C. [1 ]
Jessen, Christoph [1 ]
Kornath, Andreas J. [1 ]
机构：
[1] Ludwig Maximilians Univ Munchen, Dept Chem, Butenandstr 5-13 D, D-81377 Munich, Germany
来源：
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2021年 / 647卷 / 04期
关键词：
Fumaryl fluoride; Quantum chemical calculations; Vibrational spectroscopy; X-ray structure analysis; Rotational isomerism; Energy differences; AsF(5)adducts; NUCLEAR-MAGNETIC-RESONANCE; VIBRATIONAL-SPECTRA; MOLECULAR-STRUCTURE; ROTATIONAL-ISOMERISM; DICARBONYL-COMPOUNDS; CHLORIDE; ADDUCTS; ASSIGNMENT; DIMETHYL; TRANS;
D O I：
10.1002/zaac.202000248
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The molecular structure and the conformational composition of fumaryl fluoride were determined by low-temperature vibrational spectroscopy and single-crystal X-ray structure analysis. Three planar rotational isomers,trans-trans-,cis-cis- andcis-trans-fumaryl fluoride were identified. C(4)H(2)F(2)O(2)crystallizes in the monoclinic space groupP2(1)/cwith four formula units per unit cell. Besides, Lewis acid-base adducts between fumaryl fluoride and arsenic pentafluoride were synthesized. These adducts, which contain O-As bonding interactions, were found to crystallize as the monoadductstrans-cis-C4H2F2O2 center dot AsF(5)andcis-trans-C4H2F2O2 center dot AsF5. Moreover, the diadducttrans-trans-C4H2F2O2 center dot 2 AsF(5)was determined by X-ray crystallography. The experimental data are discussed together with quantum chemical calculations oftrans-trans-,cis-cis-, andcis-trans-fumaryl fluoride.
引用
收藏
页码：258 / 265
页数：8
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