Publication Type Journal Article
Title Structural relations in (1:1) and (2:1) cyanobenzene-ethylenedithio-TTF radical salts; the role of C N center dot center dot center dot H interactions
Authors Goncalo Lopes Vasco Gama Dulce Simão Isabel Cordeiro Santos Elsa B. Lopes Laura C. J. Pereira Manuel Almeida Sandra Rabaca
Groups BioMol
Journal CRYSTENGCOMM
Year 2019
Month December
Volume 21
Number 48
Pages 7489-7497
Abstract Four salts of the dissymmetric TTF-derivative 4-cyanobenzene-ethylenedithio-tetrathiafulvalene (4-CNB-EDT-TTF) with different anions, namely (4-CNB-EDT-TTF)A with A = ClO4 (1), BF4 (2) and (4-CNB-EDT-TTF)(2)[M(mnt)(2)] with M = Ni (3) and Au (4), were obtained by electrocrystallization and characterized by single-crystal X-ray diffraction, magnetic susceptibility and electrical conductivity measurements in comparison with the analogues based on the donor 5-CNB-EDT-TTF. All the compounds present dimerization of the donor units. Compounds 1 and 2 are isomorphous with a crystal structure characterized by slipped head to tail donor dimer stacks segregated from anion columns. Compounds 3 and 4 are isostructural with a crystal structure characterized by alternated stacks of head to tail donor dimers and acceptors. In spite of the different structural types and stoichiometries, all of these compounds have C N center dot center dot center dot H pairing interactions associated with R-2(2)(8), R-4(2)(8), R-2(2)(10), and R-4(2)(10) synthons between donors in nearby dimers. 3 and 4 are semiconductors, and their magnetic susceptibility exhibits a behaviour typical of antiferromagnetically coupled spin chains with magnetic exchange values J/k = -149.9 and -60.1 K, respectively, and in the case of 3, a Curie-Weiss contribution from the paramagnetic anions [Ni(mnt)(2)](-).
DOI http://dx.doi.org/10.1039/c9ce01214a
ISBN
Publisher ROYAL SOC CHEMISTRY
Book Title
ISSN 1466-8033
EISSN
Conference Name
Bibtex ID ISI:000507599200010
Observations
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