Structural, Spectroscopic Characterization and EPR Studies of Tetramethylammonium-Hydrogen Fumarate-Fumaric Acid Complex

Abstract

The tetramethylammonium-hydrogen fumarate-fumaric acid (hereafter, [TMAHF-FA]) complex was synthesized and characterized by spectroscopic (IR), structural (XRD) and electron paramagnetic resonance (EPR) techniques. In the crystal structure, tetramethylammonium cation lies on a mirror plane of the space group P2<inf>1</inf>/m. Crystal structure analysis reveals that there is a large degree of proton sharing between the fumaric acid and hydrogen fumarate, with the H atom lying almost symmetrically between the donor and acceptor sites, as evidenced by the long O-H and short H⋯O distances [1.19(3) Å, 1.26(3) Å], respectively. γ-Irradiation damage centers in [TMAHF-FA] single crystal have been investigated by EPR at room temperature. The spectra indicated the existence of over(C, ̇)<inf>α</inf> H<inf>α</inf> C<inf>β</inf> H<inf>β</inf> COO- radical. The EPR spectra recorded in the three mutually perpendicular planes have shown two magnetically distinct paramagnetic sites in monoclinic lattice. The principal values of g and hyperfine constants for both sites were calculated. IR spectrum was resolved and transitions were assigned based on the molecular structure. © 2008 Elsevier Ltd. All rights reserved.