4‐Methyl‐1,2,3,5‐dithiadiazoliumsalze Die Kristallstrukturen von (CH3CN2S2)5[CoCl4]Cl3 und (CH3CN2S2)Cl

Ruangsuttinarupap, S.; Gross, H.-D.; Willing, W.; Müller, Ulrich; Dehnicke, Kurt

doi:10.1002/zaac.19865360518

Cited by 11 publications

(5 citation statements)

References 17 publications

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“…Close contacts between the Cl δ− atoms of SbPh 3 Cl 2 and the S δ+ atoms of the "pancake bonded" DTDA moieties can clearly be identified in 2. Similar electrostatic contacts are very common in other crystalline DTDA-based compounds, [35][36][37] and are observed in chloride salts of closedshell DTDA + cations 38 as well as mixed valent co-crystals of DTDA radicals and cation chlorides. 39,40 Evidently, cis-cofacial "pancake bonds" also contribute to the lattice enthalpy of 2, however they are formed at the expense of twisted co-facial "pancake bonds" in 1 (Fig.…”

supporting

confidence: 71%

Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction

et al. 2015

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supporting

confidence: 71%

Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction

et al. 2015

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“…Since the singly occupied molecular orbital (SOMO) of the pyDTDA free radical ligand is π* in nature, with significant positive spin density at the sulfur atoms, the sulfur−sulfur bond distance may be used as a fair indication of the oxidation state of this species. A shortening of this distance is observed upon one-electron oxidation to the closed shell cation, and a lengthening is expected upon reduction. Little change is observed in the bond length upon coordination to either metal ion; thus, the crystallographic data suggest that the ligand maintains its neutral oxidation state in both complexes.…”

Section: Resultsmentioning

confidence: 94%

Ni(II) andhs-Fe(II) Complexes of a Paramagnetic Thiazyl Ligand, and Decomposition Products of the Iron Complex, Including an Fe(III) Tetramer

Hearns¹,

Fatila²,

Clérac³

et al. 2008

Inorg. Chem.

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Synthesis and structural, magnetic and electrochemical characterization of the Ni(hfac) 2(pyDTDA) and the Fe(hfac) 2(pyDTDA) complexes are reported (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonato-; pyDTDA = 4-(2'-pyridyl)-1,2,3,5-dithiadiazolyl). Unlike the previously reported Mn(II) and Cu(II) complexes, but similar to the Co(II) complex, the Ni(II) and Fe(II) complexes are not dimerized in the solid state, allowing for magnetic coupling between the metal ion and paramagnetic ligand to be readily obtained from solid state magnetic measurements: Ni complex, J/k B = +132(1) K, using H = -2 J{ S Ni. S Rad} and g Ni = 2.04(2) and g Rad = 1.99(2); Fe complex, J/k B = -60.3(3) K, using H = -2 J{ S Fe. S Rad} and g av = 2.11(2). The iron complex is unusually unstable. A thermal decomposition product is isolated wherein the coordinated pyDTDA ligand appears to have been transformed into a coordinated 2-(2'-pyridyl)-4,6-bis(trifluoromethyl)pyrimidine. The iron complex also yields a solution decomposition product in the presence of air that is best described as an oxygen bridged iron(III) tetramer with two hfac ligands on each of three iron atoms and two oxidized pyDTDA ligands chelated on the fourth.

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“…These stacks are linked through a series of S···Cl interactions [3.234(2)–4.274(2) Å], with the majority within the van der Waals radii of S and Cl (3.55 Å) . DTDA radicals exhibit a strong propensity to form in-plane S···Cl contacts to both covalent chlorine in chloro-aryl DTDA radicals , as well as to chloride counterions in dithiadiazolylium chloride salts. − The S···Cl contacts in 1 (3.234(2)–3.747(2) Å) are close to those observed to other covalently bonded chlorine atoms [cf. S···Cl at 3.385(5) and 3.521(5) Å in ( p -ClC 6 H 4 CNSSN) 2 (WIMNAH)] .…”

Section: Resultsmentioning

confidence: 99%

Effects of Halo-Substitution on 2′-Chloro-5′-halo-phenyl-1,2,3,5-dithiadiazolyl Radicals: A Crystallographic, Magnetic, and Electron Paramagnetic Resonance Case Study

Constantinides

Carter

Eisler

et al. 2017

Crystal Growth & Design

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ABSTRACT:The syntheses and characterization of the aryl-substituted dithiadiazolyls, 2 -Cl-5 -X-C 6 H 3 CNSSN • [1 (X = F), 2 (X = Cl), 3 (X = Br), 4 (X = I)] are described. In all four cases the radicals adopt distorted stacks of π*-π* dimers with inter-stack S···X contacts. In 1 (monoclinic P2/c) S···Cl contacts are manifested through a non-crystallographic 3-fold axis forming supramolecular trimers whereas the inter-stack S…X contacts in 2 (triclinic P-1), 3 and 4 (which form an isostructural pair, orthorhombic Pna2 1 ) form supramolecular chains. While all the structures adopt π*-π* cis-oid dimer motifs, tuning the halogen modifies the intra-dimer S···S distance. Variable temperature SQUID magnetometry and X-band CW-EPR studies revealed the presence of a thermally accessible triplet state in all cases, with the singlet-triplet separation appearing in the order 1 > 2 > 3 > 4, consistent with a reduction in the overlap integral with increasing intra-dimer S···S separation. Variable temperature structural studies on both 2 and 4 reveal a structural evolution from a distorted π-stack motif towards a regular π-stacked array on warming. This is particularly pronounced in 2 where the intermolecular S…S separations along the stacking direction converge on a regular 3.6 Å spacing at ambient temperature.3

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4‐Methyl‐1,2,3,5‐dithiadiazoliumsalze Die Kristallstrukturen von (CH₃CN₂S₂)₅[CoCl₄]Cl₃ und (CH₃CN₂S₂)Cl

Cited by 11 publications

References 17 publications

Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction

Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction

Ni(II) andhs-Fe(II) Complexes of a Paramagnetic Thiazyl Ligand, and Decomposition Products of the Iron Complex, Including an Fe(III) Tetramer

Effects of Halo-Substitution on 2′-Chloro-5′-halo-phenyl-1,2,3,5-dithiadiazolyl Radicals: A Crystallographic, Magnetic, and Electron Paramagnetic Resonance Case Study

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