Journal Title
Title of Journal: J Chem Crystallogr
|
Abbravation: Journal of Chemical Crystallography
|
|
|
|
|
|
|
|
Authors: XiuMei Li QingWei Wang PeiYing Zhan YaRu Pan
Publish Date: 2016/03/05
Volume: 46, Issue: 4, Pages: 163-169
Abstract
A new CdII coordination polymer based on 44′oxydibenzoic acid H2oba and 13bisimidazol1ylmethylbenzene mbix namely Cdobambixn 1 has been successfully synthesized under hydrothermal conditions Its structure has been determined by single crystal Xray diffraction analysis elemental analyses IR TGA and fluorescence spectrum Compound 1 shows a onedimensional doublechain structure The intermolecular C–H···O C–H···N hydrogen bonding and π–π stacking interactions extend the compound 1 into 2D supramolecular architectures and play an important role in stabilizing compound 1 In addition natural bond orbital analysis was performed by using the PBE0/LANL2DZ method built in Gaussian 09 Program The calculation results showed the obvious covalent interaction between the coordinated atoms and CdII ionThis work was supported by the Science and Technology Development Project of Jilin Provincial Science Technology Department 201205080 and the Science and Technology Research Projects of the Education Department of Jilin Province 2013384 Program supports from State Key Laboratory of Theoretical and Computational Chemistry of Tonghua Normal University are gratefully acknowledged
Keywords:
.
|
Other Papers In This Journal:
- Unusual Very Strong O–H···O Hydrogen Bonding in Zinc Complex: Crystal Structure and Photoluminescence of [Zn(HL)(bpy) 2 (H 2 O)] 2 (L) (L = O 2 C(CF 2 ) 6 CO 2 , bpy = 2,2′bipyridine)
- Structures of Protonated Bis(pyridine-2-yl) Ketone Arylhydrazone Derivatives: [(C 5 H 4 N)(C 5 H 4 NH)C=NNHC 6 H 4 Y] + [X] − (Y,X = 3-O 2 N,Cl: 4-Me,Cl:)
- Hydrogen Bonded 3D Supramolecular Architectures of Three Saccharinate Salts
- Crystal structure of potassium tris[3-(2-pyridyl)pyrazolyl]hydroborate
- X-ray Structure Investigation of 20- O -β- d -glucopyranosyl-20( S )-protopanaxadiol
- Synthesis, X-ray Structure and Photo Chemistry of 2-(Methyl(1-Phenylvinyl)Carbamoyl)Phenyl Acetate
- Crystal and Molecular Structures of Di-1-Adamantylthiophosphinic Chloride, P , P -Diphenyl- N -Benzyl Phosphinothioic- and Selenoic- Amides
- Crystal structures of 2-pyrazinecarboxylato silver(I) and ammine 2,3-pyrazinecarboxylato disilver(I)
- Syntheses, Characterizations and Crystal Structures of Two Copper Coordination Polymers Both Having Cu 2 Cl 2 Bridging Subunit [Cu I (bipy) 1/2 Cl] n (1) and {[(Cu II ) 4 (phen) 4 (SSA) 2 Cl 2 ](H 2 O) 2 (DMF) 2 } n (2)
- Crystal Structure, Absolute Configuration, Conformational Analysis and Molecular Dynamics Study of the Novel Steroidal Tetrazole Derivative: (25 R )-3,12a-diaza-A,C-bishomo-5α-spirostano[3,4- d ] [12a,12 d ] bistetrazole [HS-989]
- The Role of Halogen Bonding in Crystal Structures of 3-Halogeno Cytisine Derivatives
- Intermolecular Interactions in Dihydrothymine Derivatives Form Two-Dimensional and Three-Dimensional Networks
- Crystallographic and luminescence studies of ammonium and water adducts of anthraquinone fluorophores
- The Crystal Structure and Cytotoxicity of Centrosymmetric Copper(II) Complex Derived from S-methyldithiocarbazate with Isatin
- Dielectric Phase Transition Behavior in an N-salicyliden Based Ion Crystal
- Poly (Isonicotinic Acid N-Oxide–Isonicotinate-N-Oxide-Chloro-Uranyl): The Interpenetrating Grids Created by Coordination and Hydrogen Bonds
- Crystal Structure of a Mixed-Ligand Cu(II) Complex Forming Supramolecular Assembly via an Extensive H-Bonding and Ring–Ring π–π Interactions
- Crystal Structures of 2-Phenyl-2 H -1,2,3-Triazol-4-Carbaldehyde, an Active α-Glycosidase Inhibition Agent, and (1-Phenyl-1 H -1,2,3-Triazol-4-yl)Methyl Benzoate and (2-(4-Fluorophenyl)-2 H -1,2,3-Triazole-4-yl)Methanol, Two Moderately Active Compounds
- Structure of 4-amino-3-butyl-1,2,4-triazole-5-thione: Relation to derivatives with H, Me, Et, and Pr in the 3-position
- Hydrogen Bonding Ring Patterns of Chiral Dibenzoyltartrate in a Series of Hydrated Ammonium Carboxylate Salts with Chiral 1-Phenylethylammonium
- Crystal Structures of Trinuclear Chlorido( N,N ′-diethylthiourea)copper(I) and a Second Polymorph of Iodidotris( N,N ′-diethylthiourea)copper(I)
- Synthesis and crystal structure of catena -poly[aqua( cis-syn-cis -dicyclohexyl-18-crown-6) tetra(thiocyanato)barium(II) platinum(II)]: [BaPt(NCS) 4 (C 20 H 36 O 6 )(H 2 O)] n
- Synthesis, Characterization and Crystal Structure of N,N ′-di[( E )-1-(2-hydoxyphenyl)methylidene]-2,6-naphthalenedicarbohydrazide
- The Crystal Structure of 3-Epismilagenin Acetate and 23-Oxo-3-epismilagenin Acetate
- A New Coordination Polymer of Zn(II)-btc (H 3 btc = Benzene-1,3,5-tricarboxylic acid) with Protonated Acridine: Synthesis, Crystal Structure and Spectroscopic Properties
- Experimental Electron Density of Ammonium Dihydrogen Phosphate in the Paraelectric as well as Antiferroelectric Phases by the Maximum Entropy Method
- Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1 H -pyrazol-1-yl)-2-oxobutyl]benzene
- Crystal Structure of 9α,11-Epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone
- Synthesis, Crystal Structures, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of Three New Derivatives of 1 - (phenylsulfonyl)indole
- Synthesis and Crystal Structure of New Heterocyclic Compounds Containing 1,2,3-Triazole Moiety
- 1,3-Bis(4-Pyridinylcarbonyl)-2-Imidazolidinethione and Its First Cluster Complex: Synthesis, Crystal Structure and Luminescence Properties
|