caa a22 4500 46792029X CHVBK 20180406152915.0 cr unu---uuuuu 170328e20060501xx s 000 0 eng 10.1007/s00706-006-0449-5 doi (NATIONALLICENCE)springer-10.1007/s00706-006-0449-5 Self-Assembly of Dithiolene-based Coordination Polymers of Mercury(II): Dithioether versus Thiocarbonyl Bonding [Elektronische Daten] [Aurélien Hameau, Fabrice Guyon, Michael Knorr, Mironel Enescu, Carsten Strohmann] Summary.: The reactions of 4,5-bis(methylthio)-1,3-dithiole-2-thione (L) with mercury(II) halides allowed the isolation and structural characterization of three novel coordination polymers, [HgX2L]n (X = I, 1; X = Br, 2; X = Cl, 3). In all cases, the complexation of L on HgX2 occurs via the thiocarbonyl function. The strength of this Hg-S bond decreases from X = I to X = Cl, as indicated by the increasing Hg-S bond distances (2.583(4) 1; 2.668(4) 2; 2.815(5) Å 3). The 1D polymeric structures result from bridging halide interactions and a combination of π-π and S···S interactions between the sulfur rich ligands. The coordination around the Hg center is distorted tetrahedral in 1, whereas the geometry around the mercury in 3 is better described as distorted square pyramidal. In addition, weak interchain interactions are observed in the crystalline state. The preference of HgI2 for thiocarbonyl bonding instead of a chelating dithioether bonding was also studied by means of ab initio calculations. Springer-Verlag, 2006 Keywords. Inorganic polymers nationallicence 1,3-Dithiole-2-thione nationallicence X-Ray structure determination nationallicence Ab initio calculations nationallicence Molecular wire nationallicence Hameau Aurélien Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut Guyon Fabrice Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut Knorr Michael Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut Enescu Mironel Laboratoire de Microanalyses Nucléaires, UMR CEA E4, Faculté des Sciences et Techniques, University of Franche-Comté, Besançon, France aut Strohmann Carsten Institut für Anorganische Chemie der Universität Würzburg, D-97074, Würzburg, Germany aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/5(2006-05-01), 545-555 0026-9247 137:5<545 2006 137 706 https://doi.org/10.1007/s00706-006-0449-5 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00706-006-0449-5 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Hameau Aurélien Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut NATIONALLICENCE 700 1- Guyon Fabrice Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut NATIONALLICENCE 700 1- Knorr Michael Laboratoire de Chimie des Matériaux et Interfaces, Faculté des Sciences et Techniques, University of Franche-Comté, 25030, Besançon, France aut NATIONALLICENCE 700 1- Enescu Mironel Laboratoire de Microanalyses Nucléaires, UMR CEA E4, Faculté des Sciences et Techniques, University of Franche-Comté, Besançon, France aut NATIONALLICENCE 700 1- Strohmann Carsten Institut für Anorganische Chemie der Universität Würzburg, D-97074, Würzburg, Germany aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/5(2006-05-01), 545-555 0026-9247 137:5<545 2006 137 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer