ChemInform Abstract: Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds.

ChemInform ◽  
2016 ◽  
Vol 47 (45) ◽  
Author(s):  
Huangjie Lu ◽  
Yaxing Wang ◽  
Congzhi Wang ◽  
Lanhua Chen ◽  
Weiqun Shi ◽  
...  
Keyword(s):  
Two Dimensional ◽  
Halogen Bonds ◽  
Cationic Network

Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen–Halogen Bonds

2016 ◽  
Vol 55 (17) ◽  
pp. 8570-8575 ◽  
Author(s):  
Huangjie Lu ◽  
Yaxing Wang ◽  
Congzhi Wang ◽  
Lanhua Chen ◽  
Weiqun Shi ◽  
...  
Keyword(s):  
Two Dimensional ◽  
Halogen Bonds ◽  
Cationic Network

scholarly journals Control of a two-dimensional molecular structure by cooperative halogen and hydrogen bonds

RSC Advances ◽  
2014 ◽  
Vol 4 (102) ◽  
pp. 58567-58572 ◽  
Author(s):  
Satoshi Yasuda ◽  
Atom Furuya ◽  
Kei Murakoshi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Scanning Tunneling Microscopy ◽  
Pyrolytic Graphite ◽  
Cooperative Effect ◽  
Scanning Tunneling ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Tunneling Microscopy ◽  
Molecular Arrangement

The cooperative effect of hydrogen and halogen bonds on the two-dimensional (2D) molecular arrangement on highly oriented pyrolytic graphite (HOPG) was studied by scanning tunneling microscopy.

scholarly journals Realizing Two-Dimensional Spin Arrays on Surfaces via Halogen-Bonding Molecular Self-Assembly

2021 ◽  
Author(s):  
Dingguan Wang ◽  
Zishen Wang ◽  
Shaofei Wu ◽  
Arramel Arramel ◽  
Xinmao Yin ◽  
...  
Keyword(s):  
Single Molecule ◽  
Self Assembly ◽  
Halogen Bonding ◽  
Scanning Tunneling ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Tunneling Microscopy ◽  
Single Molecule Level ◽  
Magnetic Devices ◽  
Temperature Scanning

Well-ordered spin arrays are highly desirable for next-generation molecule-based magnetic devices, and yet its synthetic method remains a challenging task. Herein, we demonstrate the realization of two-dimensional supramolecular spin arrays on surfaces via halogen-bonding molecular self-assembly. A bromine-terminal perchlorotriphenymethyl radical with net carbon spin was synthesized and deposited on Au(111) to achieve two-dimensional supramolecular spin arrays. By taking advantage of the diversity of halogen bonds, five supramolecular spin arrays are presented with ultrahigh spin densities (up to the value of 3 × 10<sup>13</sup> spins at the size of a flash drive), as probed by low-temperature scanning tunneling microscopy at the single-molecule level. First principle calculations verify that the formation of three distinct types of halogen bonds can be used to tailor supramolecular phases via molecular coverage and annealing temperature. Our work demonstrates supramolecular self-assembly as a promising method to engineering 2D spin arrays for potential application in magnetic devices.

scholarly journals Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Irina S. Konovalova ◽  
Svitlana V. Shishkina ◽  
Dmytro Kobzev ◽  
Olha Semenova ◽  
Anatoliy Tatarets
Keyword(s):  
Nitrogen Atom ◽  
Organic Cation ◽  
Positive Charge ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Halogen Bonds ◽  
Salt Form ◽  
Hirshfeld Analysis ◽  
Intermolecular Contacts

4,6-Dibromo-2,3,3-trimethyl-3H-indole, C11H11Br2N, exists as a neutral molecule in the asymmetric unit. The asymmetric unit of 4,6-dibromo-2,3,3-trimethyl-3H-indol-1-ium iodide, C12H14Br2N+·I−, contains one organic cation and one iodine anion. The positive charge is localized on the quaternized nitrogen atom. In the crystal, molecules of 4,6-dibromoindolenine are linked by C—Br...π halogen bonds, forming zigzag chains propagating in the [001] direction. The molecules of the salt form layers parallel to the (010) plane where they are linked by C—H...Br hydrogen bonds, C—Br...Br and C—Br...I halogen bonds. The Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the intermolecular contacts present in both crystals.

scholarly journals 79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies

2018 ◽  
Vol 9 (20) ◽  
pp. 4555-4561 ◽  
Author(s):  
P. Cerreia Vioglio ◽  
P. M. J. Szell ◽  
M. R. Chierotti ◽  
R. Gobetto ◽  
D. L. Bryce
Keyword(s):  
Resonance Frequency ◽  
Nuclear Quadrupole Resonance ◽  
Halogen Bond ◽  
Spectroscopic Characterization ◽  
Supramolecular Assemblies ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

One- and two-dimensional bromine-79/81 NQR spectroscopy of halogen bond donors in a series of cocrystals shows changes in resonance frequency of up to 20 MHz and differentiates between crystallographically non-equivalent bromine sites.

scholarly journals Halogen-bonded network of trinuclear copper(II) 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars

2016 ◽  
Vol 72 (11) ◽  
pp. 1517-1520 ◽  
Author(s):  
Stuart A. Surmann ◽  
Gellert Mezei
Keyword(s):  
Halogen Bonding ◽  
Title Complex ◽  
Trinuclear Complex ◽  
Structural Description ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Trinuclear Complexes ◽  
Complete Breakdown ◽  
Solvent Molecules ◽  
Substituted Pyrazoles

Crystals of bis(tetrabutylammonium) di-μ3-chlorido-tris(μ2-4-iodopyrazolato-κ2N:N′)tris[chloridocuprate(II)] 1,4-dioxane hemisolvate, (C16H36N)2[Cu3(C3H2IN2)3Cl5]·0.5C4H8O or (Bu4N)2[CuII3(μ3-Cl)2(μ-4-I-pz)3Cl3]·0.5C4H8O, were obtained by evaporating a solution of (Bu4N)2[{CuII(μ-OH)(μ-4-I-pz)}nCO3] (n= 27–31) nanojars in chloroform/1,4-dioxane. The decomposition of chloroform in the presence of oxygen and moisture provides HCl, which leads to the breakdown of nanojars to the title trinuclear copper(II) pyrazolate complex, and possibly CuIIions and free 4-iodopyrazole. CuIIions, in turn, act as catalyst for the accelerated decomposition of chloroform, ultimately leading to the complete breakdown of nanojars. The crystal structure presented here provides the first structural description of a trinuclear copper(II) pyrazolate complex with iodine-substituted pyrazoles. In contrast to related trinuclear complexes based on differently substituted 4-R-pyrazoles (R= H, Cl, Br, Me), the [Cu3(μ-4-I-pz)3Cl3] core in the title complex is nearly planar. This difference is likely a result of the presence of the iodine substituent, which provides a unique, novel feature in copper pyrazolate chemistry. Thus, the iodine atoms form halogen bonds with the terminal chlorido ligands of the surrounding complexes [mean length of I...Cl contacts = 3.48 (1) Å], leading to an extended two-dimensional, halogen-bonded network along (-110). The cavities within this framework are filled by centrosymmetric 1,4-dioxane solvent molecules, which create further bridgesviaC—H...Cl hydrogen bonds with terminal chlorido ligands of the trinuclear complex not involved in halogen bonding.

scholarly journals Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes

2020 ◽  
Vol 76 (3) ◽  
pp. 438-442 ◽  
Author(s):  
Yu-Jin Cui ◽  
Feng Su ◽  
Wei-Jun Jin
Keyword(s):  
Solid State ◽  
Room Temperature ◽  
Three Dimensional ◽  
Luminescent Properties ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
One Dimensional ◽  
X Ray ◽  
X Ray Crystallography ◽  
Independent Molecules

Two new co-crystals, tetraiodoethylene–phenanthridine (1/2), 0.5C2I4·C13H9N (1) and tetraiodoethylene–benzo[f]quinoline (1/2), 0.5C2I4·C13H9N (2), were obtained from tetraiodoethylene and azaphenanthrenes, and characterized by IR and fluorescence spectroscopy, elemental analysis and X-ray crystallography. In the crystal structures, C—I...π and C—I...N halogen bonds link the independent molecules into one-dimensional chains and two-dimensional networks with subloops. In addition, the planar azaphenanthrenes lend themselves to π–π stacking and C—H...π interactions, leading to a diversity of supramolecular three-dimensional structural motifs being formed by these interactions. Luminescence studies show that co-crystals 1 and 2 exhibit distinctly different luminescence properties in the solid state at room temperature.

Role of halogen–halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide

2017 ◽  
Vol 73 (12) ◽  
pp. 1056-1063
Author(s):  
Balasubramanian Sridhar ◽  
Krishnan Ravikumar
Keyword(s):  
Crystal Structure ◽  
Domestic Animals ◽  
Intensity Data ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
One Dimensional ◽  
Ideal Candidate ◽  
Intermolecular Contacts ◽  
Solvent Molecules

Halogen–halogen contacts are electrostatic in nature and exhibit directionality similar to hydrogen bonds. Oxyclozanide [systematic name: 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide] is a drug used for the treatment of fascioliasis in domestic animals. The molecule carries five chlorine substituents and represents an ideal candidate for the study of halogen bonds in the crystal. Three new crystalline solvates of oxyclozanide, namely, oxyclozanide benzene hemisolvate, C13H6Cl5NO3·0.5C6H6, (I), oxyclozanide xylene hemisolvate, C13H6Cl5NO3·0.5C8H10, (II), and oxyclozanide toluene hemisolvate, C13H6Cl5NO3·0.5C7H8, (III), were structurally characterized. In this context, the crystal structure of oxyclozanide chlorobenzene hemisolvate, C13H6Cl5NO3·0.5C6H5Cl, (IV), was redetermined based on intensity data collected at 100 K. In all four solvates, the cocrystallized solvent molecules are located on crystallographic inversion centres. Solvates (I)–(IV) exhibit similar one-dimensional hydrogen-bonded chains generated by O—H...O, O—H...Cl and Cl...Cl interactions. The extension of these one-dimensional chains into two-dimensional layers is promoted by Cl...Cl and C—H...π contacts. Solvates (III) and (IV) are isostructural and differ from (I) and (II) with respect to subtle details concerning the intermolecular contacts.

Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives

2015 ◽  
Vol 71 (2) ◽  
pp. 209-220 ◽  
Author(s):  
Valeska Gerhardt ◽  
Ernst Egert
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Methyl Derivative ◽  
Pyrimidine Derivatives ◽  
Triazine Derivatives ◽  
Solvent Molecules

In order to obtain complexes held together by hydrogen as well as halogen bonds, 6-chlorouracil [6-chloropyrimidin-2,4(1H,3H)-dione; 6CU] and its 3-methyl derivative [6-chloro-3-methylpyrimidin-2,4(1H,3H)-dione; M6CU] were cocrystallized with 2,4,6-triaminopyrimidine and the three triazine derivatives 2,4,6-triamino-1,3,5-triazine (melamine), 2,4-diamino-6-methyl-1,3,5-triazine and 2-chloro-4,6-diamino-1,3,5-triazine, which all offer complementary hydrogen-bonding sites. Three of these compounds form cocrystals with 6CU; however, melamine yielded only a new pseudopolymorph with 6CU, but formed a cocrystal with M6CU. All six cocrystals contain solvent molecules (N,N-dimethylformamide,N,N-dimethylacetamide orN-methylpyrrolidin-2-one), whose intermolecular interactions contribute significantly to the stabilization of the crystal packing. Each of these structures comprises chains, which are primarily formed by strong hydrogen bonds with a basic framework built byR22(8) hydrogen bonds of either pure N—H...N or mixed patterns. Solvent molecules are aligned to the border of these chainsviaN—H...O hydrogen bonds. Two of the reported crystal structures containing 6CU show additional Cl...O halogen bonds, which connect the chains to two-dimensional layers, while one weak and one strong Cl...Cl interaction are observed in the two structures in which molecules of M6CU are present.

scholarly journals Realizing Two-Dimensional Spin Arrays on Surfaces via Halogen-Bonding Molecular Self-Assembly

2021 ◽  
Author(s):  
Dingguan Wang ◽  
Zishen Wang ◽  
Shaofei Wu ◽  
Arramel Arramel ◽  
Xinmao Yin ◽  
...  
Keyword(s):  
Single Molecule ◽  
Self Assembly ◽  
Halogen Bonding ◽  
Scanning Tunneling ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Tunneling Microscopy ◽  
Single Molecule Level ◽  
Magnetic Devices ◽  
Temperature Scanning

Well-ordered spin arrays are highly desirable for next-generation molecule-based magnetic devices, and yet its synthetic method remains a challenging task. Herein, we demonstrate the realization of two-dimensional supramolecular spin arrays on surfaces via halogen-bonding molecular self-assembly. A bromine-terminal perchlorotriphenymethyl radical with net carbon spin was synthesized and deposited on Au(111) to achieve two-dimensional supramolecular spin arrays. By taking advantage of the diversity of halogen bonds, five supramolecular spin arrays are presented with ultrahigh spin densities (up to the value of 3 × 10<sup>13</sup> spins at the size of a flash drive), as probed by low-temperature scanning tunneling microscopy at the single-molecule level. First principle calculations verify that the formation of three distinct types of halogen bonds can be used to tailor supramolecular phases via molecular coverage and annealing temperature. Our work demonstrates supramolecular self-assembly as a promising method to engineering 2D spin arrays for potential application in magnetic devices.

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