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

New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)(4) Fe(NCS)(6) center dot CH2Cl2 and (BEDT-TTF)(2) Cr(NCS)(4)(bipym) center dot 0.15H(2)O
New molecular charge transfer salts of BEDT-TTF, bis(ethylenedithio) tetrathiafulvalene, with thiocyanato-complex anions: (BEDT-TTF)(4) Fe(NCS)(6) center dot CH2Cl2 and (BEDT-TTF)(2) Cr(NCS)(4)(bipym) center dot 0.15H(2)O
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)].0.15H(2)O, 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, conductivity superconductors, 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) center dot CH2Cl2 and (BEDT-TTF)(2) Cr(NCS)(4)(bipym) center dot 0.15H(2)O. 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)].0.15H(2)O, 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.

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Published date: 1 July 2001
Keywords: charge transfer salt, magnetic susceptibility, conductivity superconductors, 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

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Date deposited: 13 Feb 2006
Last modified: 15 Jul 2019 19:26

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