ORIGINAL PAPER The Preparation, Characterization and X-ray Structural Analysis of Tetrakis[1-Methyl-3-(2-Propyl)-2(3H)-Imidazolethione] Cadmium(II) Hexafluorophosphate Daniel J. Williams Æ Daniel Gulla Æ Kimberly A. Arrowood Æ Lindsey M. Bloodworth Æ Angela L. Carmack Æ Taylor J. Evers Æ Mark S. Wilson Æ Javier J. Concepcion Æ Carol A. S. Brevett Æ Benjamin E. Huck Æ Donald VanDerveer Received: 23 September 2008 / Accepted: 17 February 2009 / Published online: 3 March 2009 Ó Springer Science+Business Media, LLC 2009 Abstract A new compound, [Cd(mipit) 4 ][PF 6 ] 2 has been synthesized and characterized via standard solid and solution state methods including single crystal X-ray crystallography (mipit = 1-methyl-3-(2-propyl)-2(3H)-imidazolethione). The title compound crystallizes in tetragonal space group I4 1 /a with a = 12.478(2) A ˚ , b = 12.478(2) A ˚ , c = 28.806(6) A ˚ , and Z = 4. The complex is a high melting, colorless solid that has a distorted tetrahedral CdS 4 coordi- nation geometry. Thermogravimetric analysis results for the title compound as well as for another potential CdS synthon and two potential CdSe synthons are reported. Keywords X-ray crystallography Á Cadmium complex Á Alkylimidazolethione Á Heteroleptic complex Á Homoleptic complex Á Thermogravimetric analysis Introduction There is increasing interest in cadmium complexes as model compounds for biotechnological understanding of Zn and Ca binding in enzymes and proteins [1]. Our research interest, however, is in seeking for more environmentally friendly synthons for zinc and cadmium chalcogenides. Current methods for producing Cd-based quantum dots involve rather hazardous material such as dimethyl cad- mium [2]. We have been synthesizing a series of homoleptic thiourea-type complexes of Group 12 metals in attempting to find suitable quantum dot (QD) synthons which are less hazardous but still produce quality nanomaterial. We recently synthesized and reported two new homoleptic tetra-S-coordinated complexes of Zn(II) using 1-methyl-3- alkyl-2(3H)-imidazolethione (mait) ligands (I) with bulky alkyl groups like isopropyl and butyl [3]. We have also reported the synthesis and characterization of a tetra-Se- coordinated cadmium complex with the selenium analog of 1,3-dimethyl-2(3H)-imidazolethione (dmit, II), [Cd(dmise) 4 ] [PF 6 ] 2 where dmise is 1,3-dimethyl-2(3H)-imidazoleselone (III)[4]. We are testing a hypothesis that bulky homoleptic chalcogenone complexes of Group 12 metals will be suit- able synthons for simple binary material like ZnS, ZnSe, CdS, and CdSe. As part of the test of this hypothesis, the title complex was subjected to thermogravimetric analysis (TGA) to assess its suitability as a potential QD synthon. We also looked at one other CdS potential synthon and two CdSe potential synthons for comparison. This paper reports the synthesis, characterization, and X-ray structural results for a new tetra-S-coordinated cadmium complex with 1-methyl-3-(2-propyl)-2(3H)-imi- dazolethione (mipit, IV), [Cd(mipit) 4 ][PF 6 ] 2 , as well as the TGA results for the title compound, [Cd(dmise) 4 ][PF 6 ] 2 , CdCl 2 (dmit) 2 , and a new compound, Cd(dmise) 2 Cl 2 , the Electronic supplementary material The online version of this article (doi:10.1007/s10870-009-9528-x) contains supplementary material, which is available to authorized users. D. J. Williams (&) Á D. Gulla Á K. A. Arrowood Á L. M. Bloodworth Á A. L. Carmack Á T. J. Evers Á M. S. Wilson Á J. J. Concepcion Á B. E. Huck Department of Chemistry and Biochemistry, Kennesaw State University, Kennesaw, GA 30144, USA e-mail: dwilliam@kennesaw.edu C. A. S. Brevett SAIC, P.O. Box 68, Gunpowder Branch, Aberdeen Proving Ground, MD 21010, USA D. VanDerveer Department of Chemistry, Clemson University, Clemson, SC 29634, USA 123 J Chem Crystallogr (2009) 39:581–584 DOI 10.1007/s10870-009-9528-x