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
相关论文
共 50 条
  • [1] SPECTROSCOPIC STUDY OF ROTATIONAL EQUILIBRIA IN FUMARYL CHLORIDE, FUMARYL FLUORIDE AND MALEOYL FLUORIDE
    KOSTER, DF
    VASILEFF, TP
    CARLSON, GL
    SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (09): : 1633 - &
  • [2] RELATIVE ENERGIES OF ROTATIONAL ISOMERS OF FUMARYL FLUORIDE, FUMARYL CHLORIDE AND MALEOYL FLUORIDE - PHYS
    KOSTER, DF
    VASILEFF, TP
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1970, (FEB): : 66 - &
  • [3] PREPARATION OF MALEOYL FLUORIDE - NUCLEAR MAGNETIC RESONANCE SPECTRA OF MALEOYL FLUORIDE, FUMARYL FLUORIDE, AND FUMARYL CHLORIDE FLUORIDE
    VASILEFF, TP
    KOSTER, DF
    JOURNAL OF ORGANIC CHEMISTRY, 1970, 35 (07): : 2461 - &
  • [4] Strengthening of the C-F Bond in Fumaryl Fluoride with Superacids
    Bayer, Marie C.
    Kremser, Christoph
    Jessen, Christoph
    Nitzer, Alexander
    Kornath, Andreas J.
    CHEMISTRY-A EUROPEAN JOURNAL, 2022, 28 (15)
  • [5] STRUCTURE AND PROPERTIES OF POLYVINYL FLUORIDE AND POLYVINYLIDENE FLUORIDE
    GORLITZ, M
    TRAUTVET.W
    WEISGERB.G
    MINKE, R
    KAUTSCHUK GUMMI KUNSTSTOFFE, 1972, 25 (09): : 412 - &
  • [6] THE VIBRATIONAL ASSIGNMENT AND CRYSTAL-STRUCTURE OF FUMARYL CHLORIDE
    LANDRY, JM
    KATON, JE
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1984, 40 (09): : 871 - 880
  • [7] SCANDIUM FLUORIDE STRUCTURE AND PROPERTIES
    IPPOLITO.EG
    MAKLACHK.AG
    ZHURNAL NEORGANICHESKOI KHIMII, 1970, 15 (06): : 1466 - &
  • [8] Dielectric and nonlinear optical properties of fumaryl type in photo crosslinkable polymers
    Seo, KI
    Bonner, CE
    Maaref, S
    Sun, S
    QUANTUM CONFINEMENT VI: NANOSTRUCTURED MATERIALS AND DEVICES, 2001, 2001 (19): : 358 - 365
  • [9] Fumaryl chloride
    Kyrides, LP
    ORGANIC SYNTHESES, 1940, 20 : 51 - 54
  • [10] Some electronic and magnetic properties of Fluoride ion in Fluoride structure nanocrystals
    Imtani, Ali Nasir
    RESULTS IN PHYSICS, 2012, 2 : 212 - 215
12345