title: Studies on TMPD:TCNB; a donor-acceptor with room temperature paramagnetism and n-pi interaction.
abstract: A donor-acceptor compound based on N,N,N',N'-tetramethyl-p-phenylene-diamine and 1,2,4,5-tetracyanobenzene (TMPD:TCNB) has been synthesized. The crystal structure of the black 1:1 complex formed between TMPD and TCNB has been determined by single crystal X-ray diffraction at room temperature. The compound crystallizes in the triclinic space group P-1 with cell dimensions: a = 7.4986(15) å, b =7.6772(11) å, c = 8.0764(15) å, alpha = 78.822(12) degrees, beta = 83.3779(19) degrees, gamma = 86.289(17) degrees .TMPD and TCNB molecules are stacked alternately in infinite columns along the a-axis. The structure does not seem to show the usual pi-pi interaction between the two aromatic rings, but indicates an n-pi interaction localized between the nitrogen atoms of the donor and the cyano groups of the acceptor.
authors.affiliation: Department of Chemistry, University of Wyoming, Laramie, Wyoming 82071, USA. prasanna@uwyo.edu
authors.forename: Prasanna S
authors.initials: PS
authors.lastname: Ghalsasi
authors.forename: Brant
authors.initials: B
authors.lastname: Cage
authors.forename: J L
authors.initials: JL
authors.lastname: Yarger
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D008280:Magnetics; D008956:Models, Chemical; D009578:Nitrobenzenes / Q000737:chemistry*; D013696:Temperature; D013772:Tetramethylphenylenediamine / Q000737:chemistry*
chemical_list: D009578:Nitrobenzenes; C019567:tetrachloronitrobenzene; D013772:Tetramethylphenylenediamine