Structure and Properties of Fumaryl Fluoride

Bayer, Marie C.; Jessen, Christoph und Kornath, Andreas J. (2020): Structure and Properties of Fumaryl Fluoride. In: Zeitschrift für Anorganische und Allgemeine Chemie, Bd. 647, Nr. 4: S. 258-265

Abstract

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.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 0044-2313
• Sprache: Englisch