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Bioinorganic Chemistry and Applications
Volume 2006 (2006), Article ID 68542, 5 pages

Pressure-Tuning Raman Spectra of Diiodine Thioamide Compounds: Models for Antithyroid Drug Activity

1Inorganic and Analytical Chemistry Section, Department of Chemistry, University of Ioannina, Ioannina 45110, Greece
2Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, QC, Canada H3A 2K6

Received 12 April 2006; Revised 5 July 2006; Accepted 26 July 2006

Copyright © 2006 Ghada J. Corban et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The pressure-tuning Raman spectra of five solid, diiodine heterocyclic thioamide compounds (mbztS)I2 (mbztS = N-methyl-2-mercaptobenzothiazole) (1); [(mbztS)2I]+[I7] (2); (pySH)I2 (pySH = 2-mercaptopyridine) (3); [(pySH)(pyS]+[I3] (4); (thpm)(I2)2 or possibly [(thpm)I2]+[I3] (thpm = 2-mercapto-3,4,5,6-tertahydropyrimidine (5) have been measured for pressures up to 50 kbar using a diamond-anvil cell. Compounds 1, 4, and 5 undergo pressure-induced phase transitions at 35, 25, and 32 kbar, respectively. Following the phase transition in 1, the pressure dependences of the vibrational modes, which were originally located at 84, 111, and 161 cm1 and are associated with the SI–Ilinkage, are 2.08, 1.78, and 0.57 cm1/kbar, respectively. These pressure dependences are typical of low-energy vibrations. The pressure-tuning FT-Raman results for the pairs of compounds 1, 2, 3, and 4 are remarkably similar to each other suggesting that the compounds are most probably perturbed diiodide compounds rather than ionic ones. The Raman data for 5 show that it is best formulated as (thpm)(I2)2 rather than [(thpm)2I]+[I3].