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Studies on TMPD:TCNB; a Donor-Acceptor with Room Temperature Paramagnetism and n-π Interactionâ€

Author(s): Prasanna S. Ghalsasi | Brant Cage | J. L. Yarger

Journal: Molecules ISSN 1420-3049
Volume: 9; Issue: 9; Start page: 808; Date: 2004;
Original page

Keywords: Donor-Acceptor | Charge transfer complex | magnetism.

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 crystalstructure of the black 1:1 complex formed between TMPD and TCNB has beendetermined by single crystal X-ray diffraction at room temperature. The compoundcrystallizes 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, α = 78.822(12)°, β = 83.3779(19)°, γ = 86.289(17)°.TMPD and TCNB molecules are stacked alternately in infinite columns along the a-axis.The structure does not seem to show the usual π-π interaction between the two aromaticrings, but indicates an n-π interaction localized between the nitrogen atoms of the donorand the cyano groups of the acceptor.