Synthesis, X-ray and Mössbauer study of iron(II) complexes with trithiocyanuric acid (ttcH3). The X-ray structures of [Fe(bpy)3](ttcH).2bpy.7H2O and [Fe(phen)3](ttcH2)(ClO4). 2CH3OH.2H2O.

KOPEL, P., Z. TRÁVNÍČEK, R. ZBOŘIL and Jaromír MAREK. Synthesis, X-ray and Mössbauer study of iron(II) complexes with trithiocyanuric acid (ttcH3). The X-ray structures of [Fe(bpy)3](ttcH).2bpy.7H2O and [Fe(phen)3](ttcH2)(ClO4). 2CH3OH.2H2O. Online. Polyhedron. Oxford, UK: PERGAMON-ELSEVIER SCIENCE LTD, 2004, vol. 23, No 14, p. 2193-2202. ISSN 0277-5387. [citováno 2024-04-24]

Basic information

• Original name: Synthesis, X-ray and Mössbauer study of iron(II) complexes with trithiocyanuric acid (ttcH3). The X-ray structures of [Fe(bpy)3](ttcH).2bpy.7H2O and [Fe(phen)3](ttcH2)(ClO4). 2CH3OH.2H2O.
• Name in Czech: Syntéza, RTG a Mössbauer. studie Fe(2) komplexů trithiokyanurové kyseliny. RTG struktury [Fe(bpy)3](ttcH).2bpy.7H2O a [Fe(phen)3](ttcH2)(ClO4). 2CH3OH.2H2O
• Authors: KOPEL, P. (203 Czech Republic), Z. TRÁVNÍČEK (203 Czech Republic), R. ZBOŘIL (203 Czech Republic) and Jaromír MAREK (203 Czech Republic, guarantor)
• Edition: Polyhedron, Oxford, UK, PERGAMON-ELSEVIER SCIENCE LTD, 2004, 0277-5387.

Other information

• Original language: English
• Type of outcome: Article in a journal
• Field of Study: 10402 Inorganic and nuclear chemistry
• Country of publisher: United Kingdom of Great Britain and Northern Ireland
• Confidentiality degree: is not subject to a state or trade secret
• Impact factor: Impact factor: 1.586
• RIV identification code: RIV/00216224:14310/04:00011588
• Organization unit: Faculty of Science
• UT WoS: 000224160200002
• Keywords in English: Iron(II) complexes; Trithiocyanuric acid; Mössbauer spectra; Crystal structures; Spectroscopic properties; DFT calculations
• Tags: crystal structures, DFT calculations, Iron(II) complexes, Mössbauer spectra, Spectroscopic properties, trithiocyanuric acid

Abstract

Iron(II) complexes with a combination of nitrogen-donor ligands and trithiocyanuric acid (ttcH3) of the composition [Fe(bpy)2(ttcH)].2H2O (1), [Fe(bpy)3](ttcH).2bpy.7H2O (2), [Fe(terpyCl)2](ttcH2)2.H2O (3), [Fe(phen)2(ttcH)].2H2O (4), [Fe(nphen)2(ttcH)].4H2O (5) and [Fe(phen)3](ttcH2)(ClO4).2CH3OH.2H2O (6), where bpy = 2,2-bipyridine, terpyCl = 4-chloro-2,2:6,2-terpyridine, phen = 1,10-phenanthroline, nphen = 5-nitro-1,10-phenanthroline, have been prepared. The compounds, except for 6, have been characterized by elemental analysis, 57Fe Mössbauer, IR and UVVis spectroscopies. It has been found that the trithiocyanurate ion is either coordinated to the metal centre (1, 4 and 5) or situated outside the inner coordination sphere of the iron(II) ion (2, 3 and 6). The X-ray crystal structures of complexes 2 and 6 demonstrate that the ligands enforce a distorted octahedral geometry on the FeII ions with monoanionic 2 and dianionic 6 forms of uncoordinated trithiocyanuric acid. Density-functional theory (DFT) calculations (B3LYP/6-31 + G*) were used for the geometry optimisation and infrared frequencies calculations of differently protonated forms of the acid (ttcH3, ttcH2 and ttcH2).

Abstract (in Czech)

Fe(2) komplexy s N-donorovými ligandy a trithiokyanurovou kyselinou byly studovány element. analýzou, 57Fe Mössbauer, IR a UV-Vis spektroskopiemi a metodami RTG difrakce.

Links

• GA203/02/0436, research and development project: Name: Aplikace krystalografických databází ve vědecké praxi