TY - JOUR
T1 - Dinuclear and polymeric Hg(II) complexes with 1-(2-furoyl)thiourea derivatives
T2 - Their crystal structure and related properties
AU - Estévez-Hernández, O.
AU - Duque, J.
AU - Rodríguez-Hernández, J.
AU - Reguera, E.
N1 - Publisher Copyright:
© 2015 Elsevier Ltd
PY - 2015/9/5
Y1 - 2015/9/5
N2 - Dimeric and polymeric complexes bis{[(1-(2-furoyl)-3-bencyl-3-phenylthiourea-κS)chloromercury(II)]-μ-chloro} (HgCl2-FBFT) and catena-poly{[(1-(2-furoyl)-3-bencylthiourea-κS)chloromercury(II)]-μ-chloro} (HgCl2-FBT) were prepared by reaction of HgCl2 with 1-(2-furoyl)-3-bencyl-3-phenylthiourea (FBFT) and 1-(2-furoyl)-3-bencylthiourea (FBT) in ethanol. Their crystal structures were solved and refined from X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. Both solids exhibit 1:1 metal:ligand stoichiometry and a distorted tetrahedral geometry for the coordination mercury centers. The mercury(II) complexes were characterized by elemental analysis, Raman, NMR and TG-DTG data. Complex HgCl2-FBFT crystallizes in the triclinic system, space group P1¯, while HgCl2-FBT crystallizes in the orthorhombic system, space group Pcnn. In the dimeric complex HgCl2-FBFT each Hg(II) atom is found coordinated to S atom of ligand, and to a terminal and two bridging chlorine atoms. Neighboring dimers remain together in the solid through dipolar and quadrupolar interactions. The complex HgCl2-FBT is a polymer of mercury(II) bridged to two chlorine ions and also coordinated by terminal chlorine ion and a molecule of ligand through the S atom. This compound exhibits intramolecular and intermolecular hydrogen bonds; these last ones are responsible for packing of the polymeric chains in a 3D framework. The photoluminescence properties indicate that both complexes are fluorescent materials with maximum emission at 425 nm.
AB - Dimeric and polymeric complexes bis{[(1-(2-furoyl)-3-bencyl-3-phenylthiourea-κS)chloromercury(II)]-μ-chloro} (HgCl2-FBFT) and catena-poly{[(1-(2-furoyl)-3-bencylthiourea-κS)chloromercury(II)]-μ-chloro} (HgCl2-FBT) were prepared by reaction of HgCl2 with 1-(2-furoyl)-3-bencyl-3-phenylthiourea (FBFT) and 1-(2-furoyl)-3-bencylthiourea (FBT) in ethanol. Their crystal structures were solved and refined from X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. Both solids exhibit 1:1 metal:ligand stoichiometry and a distorted tetrahedral geometry for the coordination mercury centers. The mercury(II) complexes were characterized by elemental analysis, Raman, NMR and TG-DTG data. Complex HgCl2-FBFT crystallizes in the triclinic system, space group P1¯, while HgCl2-FBT crystallizes in the orthorhombic system, space group Pcnn. In the dimeric complex HgCl2-FBFT each Hg(II) atom is found coordinated to S atom of ligand, and to a terminal and two bridging chlorine atoms. Neighboring dimers remain together in the solid through dipolar and quadrupolar interactions. The complex HgCl2-FBT is a polymer of mercury(II) bridged to two chlorine ions and also coordinated by terminal chlorine ion and a molecule of ligand through the S atom. This compound exhibits intramolecular and intermolecular hydrogen bonds; these last ones are responsible for packing of the polymeric chains in a 3D framework. The photoluminescence properties indicate that both complexes are fluorescent materials with maximum emission at 425 nm.
KW - Crystal structure
KW - Furoylthioureas
KW - Mercury(II) complexes
KW - Simulated annealing
KW - Spectroscopic characterization
UR - http://www.scopus.com/inward/record.url?scp=84991844054&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2015.05.028
DO - 10.1016/j.poly.2015.05.028
M3 - Artículo
SN - 0277-5387
VL - 97
SP - 148
EP - 156
JO - Polyhedron
JF - Polyhedron
ER -