The University of Southampton
University of Southampton Institutional Repository

New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)4 Fe(NCS)6·CH2Cl2 and (BEDT-TTF)2 Cr(NCS)4(bipym)·0.15H2O

New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)4 Fe(NCS)6·CH2Cl2 and (BEDT-TTF)2 Cr(NCS)4(bipym)·0.15H2O
New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)4 Fe(NCS)6·CH2Cl2 and (BEDT-TTF)2 Cr(NCS)4(bipym)·0.15H2O
Two new charge transfer salts of BEDT-TTF, bis (ethylenedithio) tetrathiafulvalene, with thiocyanato-metal complex anions have been synthesized and characterized as (BEDT-TTF)4[Fe(NCS)6].CH2Cl2 and (BEDT-TTF)2[Cr(NCS)4 (bipym)]·0.15H2O, where bipym = 2,2 ' -bipyrimidine. The Fe salt, I, crystallizes in the P-l (No. 2) space group at 150 K with a = 10.629(1) Angstrom, b = 12.099(1) Angstrom, c = 16.062(2) Angstrom, alpha = 99.61(1)degrees, beta = 90.87(1)degrees, gamma = 112.92(1)degrees, and V = 1868.5(6) Angstrom (3). At 150 K th, C, salt, II, crystallizes in the P-1 (No. 2) space group with a = 9.243(2), b = 11.781(2), c = 22.925(5) Angstrom. alpha = 93.76(3), beta = 101.51(3), gamma = 105.45(3)degrees, V= 2339.0(8) Angstrom (3), and Z = 2. Both salts exhibit close S···S contacts between the anion and cation components and in II there is no pi -stacking between the bipym group and the BEDT-TTF molecules. Both salts are paramagnetic with C = 4.926 I and C = 1.819 II with small negative Weiss constants of -0.19 and -0.26, respectively. Therefore, the S S contacts alone do not promote correlated magnetic effects as seen in other thiocyanato salts that also contain pi -stacking. Each compound is a semiconductor and has two crystallographically independent BEDT-TTF molecules for which bond length analysis give charges of +0.9 ± 0.1/ +0.6 ± 0.1 for I and +0.3 ± 0.1/ +0.9 ± 0.1 for II.
charge transfer salt, magnetic susceptibility, conductivitysuperconductors, conductors, order, ions
0022-4596
385-390
Turner, Scott S.
dff25cc2-54a4-4c11-9621-fbe854931843
Day, Peter
2eda54f4-9e67-4134-98a1-7fdf7c91be22
Gelbrich, Thomas
42309d69-eaf1-4bb7-ba2e-db61f338e370
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Turner, Scott S.
dff25cc2-54a4-4c11-9621-fbe854931843
Day, Peter
2eda54f4-9e67-4134-98a1-7fdf7c91be22
Gelbrich, Thomas
42309d69-eaf1-4bb7-ba2e-db61f338e370
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da

Turner, Scott S., Day, Peter, Gelbrich, Thomas and Hursthouse, Michael B. (2001) New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)4 Fe(NCS)6·CH2Cl2 and (BEDT-TTF)2 Cr(NCS)4(bipym)·0.15H2O. Journal of Solid State Chemistry, 159 (2), 385-390. (doi:10.1006/jssc.2001.9170).

Record type: Article

Abstract

Two new charge transfer salts of BEDT-TTF, bis (ethylenedithio) tetrathiafulvalene, with thiocyanato-metal complex anions have been synthesized and characterized as (BEDT-TTF)4[Fe(NCS)6].CH2Cl2 and (BEDT-TTF)2[Cr(NCS)4 (bipym)]·0.15H2O, where bipym = 2,2 ' -bipyrimidine. The Fe salt, I, crystallizes in the P-l (No. 2) space group at 150 K with a = 10.629(1) Angstrom, b = 12.099(1) Angstrom, c = 16.062(2) Angstrom, alpha = 99.61(1)degrees, beta = 90.87(1)degrees, gamma = 112.92(1)degrees, and V = 1868.5(6) Angstrom (3). At 150 K th, C, salt, II, crystallizes in the P-1 (No. 2) space group with a = 9.243(2), b = 11.781(2), c = 22.925(5) Angstrom. alpha = 93.76(3), beta = 101.51(3), gamma = 105.45(3)degrees, V= 2339.0(8) Angstrom (3), and Z = 2. Both salts exhibit close S···S contacts between the anion and cation components and in II there is no pi -stacking between the bipym group and the BEDT-TTF molecules. Both salts are paramagnetic with C = 4.926 I and C = 1.819 II with small negative Weiss constants of -0.19 and -0.26, respectively. Therefore, the S S contacts alone do not promote correlated magnetic effects as seen in other thiocyanato salts that also contain pi -stacking. Each compound is a semiconductor and has two crystallographically independent BEDT-TTF molecules for which bond length analysis give charges of +0.9 ± 0.1/ +0.6 ± 0.1 for I and +0.3 ± 0.1/ +0.9 ± 0.1 for II.

This record has no associated files available for download.

More information

Published date: 1 July 2001
Keywords: charge transfer salt, magnetic susceptibility, conductivitysuperconductors, conductors, order, ions

Identifiers

Local EPrints ID: 19627
URI: http://eprints.soton.ac.uk/id/eprint/19627
ISSN: 0022-4596
PURE UUID: 48feb9b0-689a-4fa7-a2ce-ab2de9674c88

Catalogue record

Date deposited: 13 Feb 2006
Last modified: 15 Mar 2024 06:17

Export record

Altmetrics

Contributors

Author: Scott S. Turner
Author: Peter Day
Author: Thomas Gelbrich

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×