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Structure and Properties of Fumaryl Fluoride
Author(s) -
Bayer Marie C.,
Jessen Christoph,
Kornath Andreas J.
Publication year - 2021
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202000248
Subject(s) - monoclinic crystal system , fluoride , cis–trans isomerism , chemistry , adduct , crystallography , crystal structure , lewis acids and bases , base (topology) , stereochemistry , inorganic chemistry , organic chemistry , catalysis , mathematical analysis , mathematics
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 ‐ and cis‐trans ‐fumaryl fluoride were identified. C 4 H 2 F 2 O 2 crystallizes in the monoclinic space group P 2 1 / c with 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 monoadducts trans‐cis ‐C 4 H 2 F 2 O 2 · AsF 5 and cis‐trans ‐C 4 H 2 F 2 O 2 · AsF 5 . Moreover, the diadduct trans‐trans ‐C 4 H 2 F 2 O 2 · 2 AsF 5 was determined by X‐ray crystallography. The experimental data are discussed together with quantum chemical calculations of trans‐trans ‐, cis‐cis ‐, and cis‐trans ‐fumaryl fluoride.