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Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet
Molecules 2004, 9(9), 808-814; doi:10.3390/90900808

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

1,* , 2 and 1
1 Department of Chemistry, University of Wyoming, Laramie , Wyoming 82071, USA 2 National Institute of Standards and Technology, 325 Broadway, Boulder CO, 80305, USA
* Author to whom correspondence should be addressed.
Received: 1 June 2004 / Accepted: 3 August 2004 / Published: 31 August 2004
(This article belongs to the Special Issue Ferromagnetic Organic Radicals)
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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.
Keywords: Donor-Acceptor; Charge transfer complex; magnetism. Donor-Acceptor; Charge transfer complex; magnetism.
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Ghalsasi, P.S.; Cage, B.; Yarger, J.L. Studies on TMPD:TCNB; a Donor-Acceptor with Room Temperature Paramagnetism and n-π Interaction†. Molecules 2004, 9, 808-814.

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