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

Molecules

Prasanna S. Ghalsasi¹  Brant Cage² 

[1] Department of Chemistry, University of Wyoming, Laramie , Wyoming 82071, USA. Tel.: [phone], Fax: [phone];National Institute of Standards and Technology, 325 Broadway, Boulder CO, 80305, USA.

关键词: Donor-Acceptor;    Charge transfer complex;    magnetism;   

DOI  :  10.3390/90900808

来源: mdpi

【 摘 要 】

A donor-acceptor compound based on N,N,N′,N′-tetramethyl-p-phenylenediamine 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, 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 aromatic rings, but indicates an n-π interaction localized between the nitrogen atoms of the donor and the cyano groups of the acceptor.

【 授权许可】

Unknown   
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