Crystal and molecular structure of the simple cation-radical salt ethylenedithiopropylenedithiotetrathiafulvalene trichloromercurate (EPT)HgCl3

Autor: Gritsenko, V. V., D'yachenko, O. A., Shilov, G. V., Atovmyan, L. O., Lyubovskaya, R. N., Aldoshina, M. Z.
Zdroj: Russian Chemical Bulletin; September 1991, Vol. 40 Issue: 9 p1818-1823, 6p
Abstrakt: The new cation-radical salt (EPT)HgCl3 is prepared. Its structure and electrical conductivity are studied. The crystal structure of (EPT)HgCl3 contains (EPT)+ in the chair conformation and trigonal planar HgCl3- packed into organic and inorganic layers alternating along thea axis. Shortened intermolecular contacts join HgCl3- into infinite chains along the c axis (Hg...Cl, 3.289 and 3.387 Å), form stacks (S...S, 3.536 and 3.597 Å) and layers (S...S, 3.427–3.498 Å) of EPT+ cation-radicals, and create cation-anion interactions between neighboring layers in the crystal (Cl...S, 3.396–3.521 Å, Cl...C, 3.360 Å). The configuration of the bonds around Hg in HgCl3- is distorted trigonal planar: Hg-Cl, 2.342(3)–2.449(3) Å, Cl-Hg-Cl, 110.7(1)–137.4(1)°. The Hg atom lies out of the plane of the Cl atoms by 0.015 Å. The conductivity of (EPT)HgCl3 at ~20°C is s300 ~ 5·10-2 (O·cm)-1. The dependence of conductivity on temperature is semiconducting in nature.
Databáze: Supplemental Index