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1.
Two kinds of iodine–iodine halogen bonds are the focus of our attention in the crystal structure of the title salt, C 12H 8ClINO +·I 3−, described by X‐ray diffraction. The first kind is a halogen bond, reinforced by charges, between the I atom of the heterocyclic cation and the triiodide anion. The second kind is the rare case of a halogen bond between the terminal atoms of neighbouring triiodide anions. The influence of relatively weakly bound iodine inside an asymmetric triiodide anion on the thermal and Raman spectroscopic properties has been demonstrated. 相似文献
2.
Co-crystallizing iodine with a simple dicationic salt (1,8-diammoniumoctane chloride) results in the clathration of the iodine (I 2) molecules inside trigonal and hexagonal helical channels of the crystal lattice with 72 wt % overall I 2 loading. The I 2 inside the bigger trigonal channel forms a I−I⋅⋅⋅I−I⋅⋅⋅I−I halogen-bonded infinite helical chain, while the I 2 in the smaller hexagonal channel is disordered. In both channels the I 2 interaction with the channel wall happens through I−I⋅⋅⋅Cl − halogen bonds. The helical channels in the crystal lattice are constructed via the strong charge-assisted H 2N +H⋅⋅⋅Cl − hydrogen bonds between the dications and the chloride anions. The structure shows a marked similarity with the well-known starch–I 2 system, and thus may provide insight for the yet unresolved structure of the I 2 in the helical starch channel. 相似文献
3.
The double ionic-polymer complex ([Au(S2CNPr2)2][AgCl2])n (1) was prepared as an individual fixation form of gold(III) from NaCl solutions with silver(I) dipropyldithiocarbamate and was characterized by single-crystal X-ray diffraction and 13C magic-angle spinning (MAS) NMR spectroscopy. The structure of 1 comprises two nonequivalent centrosymmetric complex cations [Au(S2CNPr2)2]+ (A and B) and the discrete linear anion [AgCl2]–. Gold(III) cations are linked by pairs of unsymmetrical secondary Au…S bonds to form linear supramolecular chains (…A…B…)n. Neighboring cations are additionally linked by [AgCl2]– anions via secondary Ag…S and Cl…S bonds, the anions being involved in the overall stabilization of the supramolecular structure. The cation–anion interactions lead to a distortion of the linear configuration of the [AgCl2]– anion. The character of thermolysis of 1 accompanied by quantitative regeneration of bound Au and Ag was established by simultaneous thermal analysis. 相似文献
4.
We report the preparation and X‐ray crystallographic characterization of the first crystalline homoatomic polymer chain, which is part of a semiconducting pyrroloperylene–iodine complex. The crystal structure contains infinite polyiodide I ∞δ?. Interestingly, the structure of iodine within the insoluble, blue starch–iodine complex has long remained elusive, but has been speculated as having infinite chains of iodine. Close similarities in the low‐wavenumber Raman spectra of the title compound and starch–iodine point to such infinite polyiodide chains in the latter as well. 相似文献
5.
The detailed comparative study is carried out for crystal structure packings of the following gold(III) complexes with unsaturated ligands: [Au(C 14H 22N 4)]Br ( I), [Au(C 14H 23N 4)](ClO 4) 2 ( II), [Au(C 14H 24N 4)](H 3O)(ClO 4) 4 ( III). The determining role in the topological pattern of packings I– III belongs to the compositions and structures of the cations along with the ability of the ions of the complexes to act as donors and acceptors of hydrogen bonds. The 3D packings of complexes I and II containing iminate six-membered rings are determined and stabilized by a wide network of weak hydrogen bonds (C–H…π, C–H…Au, and C–H…Br(O)) and short contacts Au(N)…O (in structure II). The structure of imine complex III is characterized by one-dimensional piles formed due to hydrogen bonds O( w)–H…O and contacts Au…O of the О(2) atom of anion Сl(1)О 4 - with cations (H 3O) + and [Au(C 14H 24N 4)] 3+ (CIF files CCDC 251258 ( I), 276132 ( II), and 287784 ( III)). 相似文献
6.
To enable a comparison between a C—H… X hydrogen bond and a halogen bond, the structures of two fluorous‐substituted pyridinium iodide salts have been determined. 4‐[(2,2‐Difluoroethoxy)methyl]pyridinium iodide, C 8H 10F 2NO +·I −, (1), has a –CH 2OCH 2CF 2H substituent at the para position of the pyridinium ring and 4‐[(3‐chloro‐2,2,3,3‐tetrafluoropropoxy)methyl]pyridinium iodide, C 9H 9ClF 4NO +·I −, (2), has a –CH 2OCH 2CF 2CF 2Cl substituent at the para position of the pyridinium ring. In salt (1), the iodide anion is involved in one N—H…I and three C—H…I hydrogen bonds, which, together with C—H…F hydrogen bonds, link the cations and anions into a three‐dimensional network. For salt (2), the iodide anion is involved in one N—H…I hydrogen bond, two C—H…I hydrogen bonds and one C—Cl…I halogen bond; additional C—H…F and C—F…F interactions link the cations and anions into a three‐dimensional arrangement. 相似文献
7.
A new Co(III) complex of 1,2-cyclohexanedionedioxime and thiocarbamide with an SO 4 2? anion and solvation water molecules in the outer sphere has been synthesized and its structure has been defined. Orthorhombic crystals, a = 11.659(2) Å, b = 26.448(5) Å, c = 30.142(6) Å, V = 9295(3) Å 3, Z = 8, dcalc = 1.599 g/cm 3, space group Pbca; final R index is 0.0578 for 8221 reflections with I > 2σ( I). In the octahedral Co(III) complex, two 1,2-cyclohexanedionedioxime residues lie in the equatorial plane, while two thiocarbamide molecules are in the axial plane. Intramolecular bonds: N-H…O and O-H…O type hydrogen bonds and π-π interactions that stabilize the complex cations. In crystal, the components are linked by N-H…O and O-H…O hydrogen bonds into a 3D framework. 相似文献
8.
A series of iodine derivatives of ferrocenylphosphorus compounds has been obtained. An X-ray investigation of [Fc 3PI] +I 3? has been carried out. All ferrocenyl fragments posses close geometric parameters, similar to those of ferrocene and its derivatives. The positive charge of the cation is localized on the phosphorus atom. Symmetrical I 3? anions of linear configuration form zigzag-shaped chains, as is usual for triiodides. The cation—anion interaction is realized through short I…I contacts. 相似文献
9.
By reaction of triphenylamylphosphonium iodide [Ph 3AmP]I ( I) with antimony iodide in acetone, triphenylamylphosphonium tetraiodide [Ph 3AmP] 2I 4 ( II) was synthesized. Crystals of I consist of triphenylamylphosphonium cations and iodine anions. Compound II contains two types of tetrahedral triphenylamylphosphonium cations, iodine anions, and [I 3] ? anions. Atoms P have a distorted tetrahedral coordination in cations I and II (the CPC angles are 106.48(12)°–111.25(12)° in I and 107.05(9)°–112.62(10)° in II). The centrosymmetric trinuclear [I 3] ? anion in II is nearly linear (the I(2)I(1)I(3) angle is 178.65°, the I(1)–I(2) and I(1)–I(3) bond lengths are 2.8925(2) Å and 2.9281(2) Å, respectively). 相似文献
10.
Oxidation of Triisopropylphosphane with Iodine: The Role of Dry or Moist Solvent i‐Pr 3P ( 1 ) and iodine give i‐Pr 3PI 2 ( 2 ). In crystals obtained from CH 2Cl 2 solution, ion pairs [ i‐Pr 3PI +I –] of 2 exhibiting I…I interactions are linked by CH 2Cl 2 molecules. With a second equivalent of iodine, i‐Pr 3PI + I 3– ( 3 ) is formed; the reaction of 2 with AgSbF 6 provides i‐Pr 3PI +SbF 6– ( 6 ). The presence of moisture and air leads to the formation of i‐Pr 3POH + salts. Solid i‐Pr 3POH +I – ( 4 ) exhibits P–O–H…I cation‐anion contacts, solid ( i‐Pr 3PO) 2H +I 3– ( 5 ) contains a centrosymmetric P=O…H…O=P‐bridged cation. Distinguishing i‐Pr 3PI + salts 2 , 3 from hydrolysis products 4 , 5 by 31P‐NMR in reaction mixtures is not trivial, because both kinds of cations exihibit similar 31P‐NMR shifts and both participate in interactions with their anions, and in equilibria with uncharged donors: rapid I + transfer reactions and I…I soft‐soft interactions involving 1 , and rapid H + transfer reactions and hydrogen bonds involving i‐Pr 3P=O ( 7 ). 相似文献
11.
A new complex compound, [K 2(18-crown-6) 2[K(18-crown-6)(EtOH)] 2[Er(NCS) 6](SCN) ( I), was synthesized and its crystal structure was studied by X-ray diffraction. In this work, the synthes and X-ray difraction stady of the crystals of a new complex, hexakis (isothiocyanato) erbiu(III) thiocyanate bis(18-crown-6) dipotassium bis(18-crown-6) ethanolpotassium], [K 2(18-crown-6) 2][K(18-crown-6)(ETON)] 2[Er(NCS) 6(SCN)( I)] are described. In crystal I, the alternating [Er(NCS) 6] 3? anions and binuclear complex cation [K(18-crown-6) 2] 2+ from infinite chains via the F-S bonds, while two complex cations [K(18-crown-6)(ETON)] + and the statistically disordered SCN ? anion between them are linked by the hydragen bonds O-H…S and O-H…N. Complex I contains the host-guest complex cations [K 2(18-crown-6) 2)] 2+ and [K(18-crown-6)(ETON)] + [1]. The alternating octabedral [Er(NCS) 6] 3? anions and binuclear complex cations [K 2(18-crown-6) 2] 2+of crystal I form infinite chains via the K-S bonds, while two complex cations [K(18-crown-6)(EtOH)] + and the statistically disordered SCN ? anion lying between them are linked by interionic hydrogen bonds O-H…S and O-H…N. Complex I contains the host-guest complex cations [K 2(18-crown-6) 2] 2+ and [K(18-crown-6)(EtOH)] + [1]. 相似文献
12.
The crystal structure of Sr(H 2O) 4[(C 12H 11O 14)B] · 3H 2O ( I) has been restudied and determined with a higher accuracy. The crystals are monoclinic, space group P2 1/ n, a = 11.405(1) Å, b = 18.814(1) Å, c = 11.987(1) Å, β = 110.79(1)°; Z = 4. The structure was refined by full matrix least-squares calculation to R = 0.0547 on 5343 unique reflections with R int = 0.0419. The structural units of crystal I are the Sr 2+ cation, seven water molecules, and doubly charged dicitratoborate anion, which is not equivalent to the singly charged complex dicitratoborate anion identified previously in the crystal structures of complexes of boric and citric acids. The coordination polyhedron of the Sr 2+ cation is a distorted dodecahedron composed of four O atoms of coordinated water molecules and four O atoms of two complex anions. The crystal packing of I is layered. Thirteen independent O-H…O and O-H…, O′ contacts form an intricate system of hydrogen bonds. 相似文献
13.
Abstract Neutral species R 3PX 2 in equilibria with halogenophosphonium halides R 3PX +X ? do not always contain hypervalent phosphorus (10-P-5)! Iodophosphonium ions R 3PI + show R 3P-I… X interaction in many cases, leading to hypervalent iodine (10-I-2). Evidence for secondary IX bonds is provided by n.m.r. spectra and X-ray crystal structure determinations. 相似文献
14.
The crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane monohydrate picrate, [H(Crypt-222) H 2O] +·Pic ? ( I), has been studied by X-ray crystallography. The structure of I (space group P2 1/ c, a = 9.336 Å, b = 19.497 Å, c = 16.420 Å; β = 94,84°, Z = 4) was solved by direct methods and refined by full-matrix least squares in an anisotropic approximation to R = 0.056 for all 3877 independent reflections collected (CAD-4 automatic diffractometer, λMo K α). This compound is one of the few representatives of the class of crystal salts containing a 2.2.2-cryptand cation with a protonated nitrogen atom that have been synthesized and studied by X-ray crystallography. The void of the cation contains a water molecule held by three H bonds. Crystal I also has unusual H bonds of C-H…O type that link the neighboring 2.2.2-cryptand cation and the picrate anion. 相似文献
15.
An M 4L 4 type metal–organic cage (MOC‐19) has been synthesized from the one‐pot reaction of tri(pyridinylmethylene)phenylbenzeneamine (TPBA) with hydrated Zn(ClO 4) 2 under mild conditions and characterized by single‐crystal X‐Ray diffraction. Iodine capture studies show that the porous crystals of MOC‐19 exhibit a versatile behavior to accumulate iodine species not only in vapor (for I 2) but also in solution (for I 2 and I 3?), and anion‐exchange experiments indicate the capacity to extract IO 3? anions from aqueous solution. Enrichment of iodine species from KI/I 2 aqueous solution proceeds facilely, revealing a pseudo‐second‐order kinetics of I 3? adsorption. Furthermore, the electrical conductivity of MOC‐19 single crystals could be significantly altered by I 2 inclusion. 相似文献
16.
Abstract I 4 2+ is the only known cyclic homopolyatomic cation or anion of iodine. It has a rectangular planar structure which may be thought of as containing two I 2 + units joined by a weak π?-π? 4 centre 2 electron bond. 1 In this paper we report our FT-Raman spectra of I 4 2+, which conflict with those published by Gillespie et al. 1 and present evidence that the peaks attributed to a species containing iodine in the +1 oxidation state are in fact due to I 4 2+. 相似文献
17.
The molecular and crystal structures of 1-(4-fluorophenyl)-1,4-dihydro-1 H-tetrazole-5-thione ( I) and its complex with cadmium(II) ( II) are studied by single crystal XRD. Free ligand I is thione; it has a nonplanar structure (the torsion angle between the tetrazole and benzene rings is 54.99(7)°) and forms H-bonded centrosymmetric dimers via two N–H…S hydrogen bonds in the crystal. The dimers contain a central planar eight-membered {S=C–N–H…S=C–N–H…} ring. Complex II has a chain structure with the composition [(C 7H 4N 4FS) 2Cd] n. The environment of the Cd(II) atom consists of two nitrogen atoms and two sulfur atoms from four ligands I and represents a distorted tetrahedron. When complex II forms, ligand I converts into the thiol form. Infinite 1D chains contain eight-membered {←S=C–N–Cd←S=C–N–Cd} rings in a chair conformation. The chains in the crystal are arranged in layers parallel to the (101) plane due to secondary intermolecular F…F and π–π-stacking interactions. 相似文献
18.
Polysulfonylamines. CVIII. A Novel Diorganyltin(IV) Complex Cation as Guest Species in an Ionic Urea Inclusion Compound: Formation and Structure of [ trans -Me 2Sn{OC(NH 2) 2} 4] 2+ · 2 (MeSO 2) 2N 7 · 6 (NH 2) 2CO The title compound (triclinic, space group P 1, Z = 1, X-ray analysis at –130 °C) was fortuitously obtained during an attempt to complex the known dimeric hydroxide [Me 2Sn(A)(μ-OH)] 2, where A 7 = (MeSO 2) 2N 7, with four equivalents of urea. The trans-octahedral and crystallographically centrosymmetric [Me 2Sn(urea) 4] 2+ cation (Sn–O 221.6 and 223.7 pm, cis-angles in the range 90 ± 1.5°) is the first structurally authenticated [R 2Sn(L) 4] 2+ complex featuring a urea-type ligand L. In the crystal, these cations are sandwiched between and hydrogen-bonded to puckered layers corresponding to the [011] family of planes. Each layer is constructed from rows of A 7 anions, which extend parallel to the x axis and are alternatingly cross-linked by a planar zig-zag tape of urea molecules or by a pair of inversion-related urea zig-zag tapes displaying a non-planar roof profile. The structure contains 23 crystallographically independent hydrogen bonds N–H…O/N, comprising two intracationic N–H…O bonds, two and four N–H…O bonds leading to the two respective types of urea tapes, eight N–H…O bonds and one N–H…N 7 bond connecting the urea tapes to the electronegative atoms of the anions, and six N–H…O interactions between the ligands of the complex guest cation and C=O or S=O acceptors within the layers of the host lattice. The anion A 7 accepts a total of twelve H bonds and adopts a previously unreported conformation. 相似文献
19.
Complexation in system 4-bromobenzyltriphenylphosphonium bromide–molecular iodine in chloroform has been studied. The limit number of iodine molecules coordinated by 4-bromobenzyltriphenylphosphonium bromide in solution and the stability constant of the complex have been determined by a spectrophotometric method using iodine average number functions. According to the X-ray diffraction data, the crystal structure of the charge transfer complex is formed by anion BrI 2? and cation [(C 6H 5) 3PCH 2C 6H 4Br] +. In a crystal, translationally identical cations C 25H 21BrP + form stacks along the y axis. Diiodobromide anions dimerized due to the I–I shortened contacts are located between the stacks. 相似文献
20.
A first example of an aryltellurium(II) compound with three different bonding modes to iodine featuring covalent and non-covalent bonds such as two orthogonal, ambiphilic σ-hole interactions is introduced: [MesTe(I)(I 2)(I 3)] −. It is a member of a series of mesityltellurenyl anions, which are formed during reactions of (MesTe) 2 with ZnI 2, phenanthroline (phen) and iodine. [Zn(phen) 3][MesTe(I) 2] ( 1 ), [Zn(phen) 3][{MesTe(I)-(I)…Te(I)Mes}{MesTeI 2}] ( 2 ) and [Zn(phen) 3][MesTe(I)(I 2)(I 3)][MesTeI 2] ( 3 ) are isolated depending on the amount of iodine used. The products contain tellurium atoms bonded to a variety of iodine species (I −, μ 2-I −, I 2 and I 3−) and are, thus, perfectly suitable to explore the amphiphilic behavior of tellurium(II) and its relevance for the formation of non-covalent bonds, where tellurium acts as both donor and acceptor simultaneously. The character of chalcogen and halogen bonds are evaluated by the combination of crystallographic data and computational methods. 相似文献
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