The 1:1 Mixed Stack Complex of Tetrathiafulvalene and 2,5‐Dibenzyltetracyanoquinodimethane (TTF:DBTCNQ) at 115 K

E. Aharon‐Shalom, J. Y. Becker, J. Bernstein, S. Bittner, S. S. Shaik

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Crystallographic constants for the title compound are as follows: Mr = 384.5 + 204.3, triclinic, PĪ, a = 6.878 (2), b = 10.309 (4), c = 11.159 (7) Å, α = 109.94 (4), β = 100.91 (4), γ = 105.64 (3)°, Z = 1, V = 680.8 Å3, Dc = 1.46 g cm−3, Dm= 1.40 g cm−3 (flotation, aqueous KI), λ(MoKα) = 0.71069 Å, μ = 3.27 cm−1, F(000) = 304, RF = 0.085 for 1948 data with |F0| > 2.5 σ(F0). The complex crystallizes in mixed stacks of alternating donors and acceptors with a maximum of intrastack overlap and a minimum of interstack interactions. The degree of charge transfer is shown by a number of criteria to be essentially zero, in stark contrast to the complex of TTF with unsubstituted TCNQ. Comparison is made with the relatively few other complexes of derivatives of TTF and TCNQ which form mixed stack complexes.

Original languageEnglish
Pages (from-to)375-380
Number of pages6
JournalIsrael Journal of Chemistry
Volume27
Issue number4
DOIs
StatePublished - 1 Jan 1986

ASJC Scopus subject areas

  • Chemistry (all)

Fingerprint

Dive into the research topics of 'The 1:1 Mixed Stack Complex of Tetrathiafulvalene and 2,5‐Dibenzyltetracyanoquinodimethane (TTF:DBTCNQ) at 115 K'. Together they form a unique fingerprint.

Cite this