Cluster Phase Chemistry:  Collisions of Vibrationally Excited Cationic Dicarboxylic Acid Clusters with Water Molecules Initiate Dissociation of Cluster Components

2007 ◽  
Vol 111 (27) ◽  
pp. 5954-5967 ◽  
Author(s):  
Hugh I. Kim ◽  
J. L. Beauchamp
Keyword(s):  
Dicarboxylic Acid ◽  
Water Molecules ◽  
Vibrationally Excited ◽  
Cluster Phase ◽  
Phase Chemistry

scholarly journals Isotypic MnIIand FeIIbinuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid

2016 ◽  
Vol 72 (10) ◽  
pp. 1412-1416
Author(s):  
Monserrat Alfonso ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Metal Ion ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Π Interactions ◽  
Metal Atoms ◽  
Hydrogen Bonded

The title isotypic complexes, bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ4N1,O2,N6:O3;κ4O3:N1,O2,N6-bis[diaquamanganese(II)] tetrahydrate, [Mn2(C16H8N4O4)2(H2O)4]·4H2O, (I), and bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ4N1,O2,N6:O3;κ4O3:N1,O2,N6-bis[diaquairon(II)] tetrahydrate, [Fe2(C16H8N4O4)2(H2O)4]·4H2O, (II), are, respectively, the manganese(II) and iron(II) complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid. The complete molecule of each complex is generated by inversion symmetry. Each metal ion is coordinated by a pyrazine N atom, a pyridine N atom, two carboxylate O atoms, one of which is bridging, and two water O atoms. The metal atoms haveMN2O4coordination geometries and the complexes have a cage-like structure. In the crystals of both compounds, the complexes are linked by O—H...O and O—H...N hydrogen bonds involving the coordinating water molecules, forming chains along [100]. These chains are linked by O—H...O hydrogen bonds involving the non-coordinating water molecules, forming layers parallel to (011). The layers are linked by pairs of C—H...O hydrogen bonds and offset π–π interactions, so forming a hydrogen-bonded three-dimensional framework.

A Periodic Orbit Bifurcation Analysis of Vibrationally Excited Isotopologues of Sulfur Dioxide and Water Molecules: Symmetry Breaking Substitutions†

2010 ◽  
Vol 114 (36) ◽  
pp. 9836-9847 ◽  
Author(s):  
Frederic Mauguiere ◽  
Michael Rey ◽  
Vladimir Tyuterev ◽  
Jaime Suarez ◽  
Stavros C. Farantos
Keyword(s):  
Sulfur Dioxide ◽  
Periodic Orbit ◽  
Symmetry Breaking ◽  
Bifurcation Analysis ◽  
Water Molecules ◽  
Vibrationally Excited

A three-dimensional coordination polymer based on the Zn4(μ3-OH)2unit: poly[[(μ4-benzene-1,4-dicarboxylato)bis(μ3-benzene-1,4-dicarboxylato)bis(μ3-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]

2015 ◽  
Vol 71 (2) ◽  
pp. 136-139
Author(s):  
Meng Wen ◽  
Zu-Ping Xiao ◽  
Chun-Ya Wang ◽  
Xi-He Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Dicarboxylic Acid ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Form Part

The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene-1,4-dicarboxylic acid (H2bdc) and 1,10-phenanthroline-5,6-dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3-OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2−ligands are fully deprotonated and adopt μ3-κO:κO′:κO′′ and μ4-κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnIIcations, respectively, from two Zn4(OH)2units. The Zn4(OH)2fragment connects six neighbouring tetranuclear units through four μ3-bdc2−and two μ4-bdc2−ligands, forming a three-dimensional framework with uninodal 6-connected α-Po topology, in which the tetranuclear Zn4(OH)2units are considered as 6-connected nodes and the bdc2−ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2unit and are connected to it through hydrogen-bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4-bdc2−ligands.

scholarly journals X-ray structure of 1D-coordination polymer of copperII bearing 1,4-pyrazine-2,3-dicarboxylic acid and 2-aminopyrimidine

2012 ◽  
Vol 77 (1) ◽  
pp. 67-73 ◽  
Author(s):  
Masoud Mirzaei ◽  
Hossein Eshtiagh-Hosseini ◽  
Azam Hassanpoor ◽  
Victor Barba
Keyword(s):  
Coordination Polymer ◽  
Dicarboxylic Acid ◽  
Supramolecular Assembly ◽  
Axial Position ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Double Chain ◽  
X Ray ◽  
1D Coordination Polymer ◽  
Oxygen Atoms

The new 1D-coordination polymer of CuII ion, {(2- apymH)2[Cu(pyzdc)2] .6H2O}n, (2-apym = 2-aminopyrimidine, pyzdcH2 = 1,4- pyrazine-2,3-dicarboxylic acid), was synthesized based on proton transfer mechanism and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction. The coordination polymer consists of infinite anionic chains of [Cu(pyzdc)2]2- anion bridged crossing double chain running along a-axis and discrete (2-apymH)+ fragment. The CuII ion is located on inversion centre in the basal plane of an elongated octahedron and two oxygen atoms from adjacent (pyzdc)2-ligands occupy axial position. The interaction between oxygen atoms of water molecules along with the dicarboxylic acid play an important role in the overall supramolecular assembly.

scholarly journals Re-reporting the Crystal Structure of Copper Complex from Another Point of View

2021 ◽  
pp. 27-29
Author(s):  
Takashiro Akitsu ◽  
Shintaro Suda ◽  
Natsuki Katsuumi
Keyword(s):  
Crystal Structure ◽  
Dicarboxylic Acid ◽  
Copper Complex ◽  
Point Of View ◽  
Data Reuse ◽  
Data Driven ◽  
Water Molecules ◽  
Pyridine Dicarboxylic Acid ◽  
Long Time ◽  
Crystalline Water

We faced an example of re-reporting of the crystal structure, which was studied from another perspective. With the development of data-driven science, the efficiency of all researchers may be improved if the rules of data "reuse", which are different from "novelty", are established. In this context, the crystal structure of a copper(II) complex with 2,6-pyridine dicarboxylic acid, C14H8O8CuN2.H2O (monohydrate), was re-determined by us again. It has a different number of crystalline water molecules in a crystal of the same copper(II) complex previously reported (trihydrate). Interestingly, both crystal structures have been reported again and again by many researchers for a long time. What’s novelty for each report?

A new one-dimensional CdII coordination polymer incorporating 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)

2018 ◽  
Vol 74 (10) ◽  
pp. 1128-1132 ◽  
Author(s):  
Yan-Ju Liu ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Jun-Di Zhang ◽  
Huai-Xia Yang
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
The One

Imidazole-4,5-dicarboxylic acid (H3IDC) and its derivatives are widely used in the preparation of new coordination polymers owing to their versatile bridging coordination modes and potential hydrogen-bonding donors and acceptors. A new one-dimensional coordination polymer, namely catena-poly[[diaquacadmium(II)]-μ3-2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylato)], [Cd(C16H6N4O8)0.5(H2O)2] n or [Cd(H2Phbidc)1/2(H2O)2] n , has been synthesized by the reaction of Cd(OAc)2·2H2O (OAc is acetate) with 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, one type of Cd ion (Cd1) is six-coordinated by two N atoms and two O atoms from one H2Phbidc4− ligand and by two O atoms from two water molecules, forming a significantly distorted octahedral CdN2O4 coordination geometry. In contrast, the other type of Cd ion (Cd2) is six-coordinated by two N atoms and two O atoms from two symmetry-related H2Phbidc4− ligands and by two O atoms from two symmetry-related water molecules, leading to a more regular octahedral coordination geometry. The Cd1 and Cd2 ions are linked by H2Phbidc4− ligands into a one-dimensional chain which runs parallel to the b axis. In the crystal, the one-dimensional chains are connected through hydrogen bonds, generating a two-dimensional layered structure parallel to the ab plane. Adjacent layers are further linked by hydrogen bonds, forming a three-dimensional structure in the solid state.

State- and bond-selected photodissociation and bimolecular reaction of water

1990 ◽  
Vol 332 (1625) ◽  
pp. 259-272 ◽  
Keyword(s):  
Room Temperature ◽  
Reaction Dynamics ◽  
Bimolecular Reaction ◽  
Water Molecules ◽  
Vibrational States ◽  
Vibrationally Excited ◽  
Stretching Vibration ◽  
Different Populations ◽  
H 20 ◽  
Selection Of

It is possible to exploit the isolation of the 0 —H stretching vibration in H 20 and HOD to control the photodissociation and reaction dynamics in water molecules excited in the region of the third overtone (4rOH) of the 0 -H stretch. In vibrationally mediated photodissociation of H 20, the selection of different initial stretching states having roughly the same energy leads to drastically different populations of the vibrational states of the OH photolysis product. By exciting the O-H stretching overtone in HOD, we can selectively photolyze that bond. In bimolecular reaction experiments, we react H 20 (4rOH) with H atoms to produce H 2 and OH. The reaction, which is endothermic, proceeds at an undetectable rate in our room temperature measurements. Vibrationally excited water, however, reacts at roughly the gas kinetic collision rate. Applying this technique to HOD (4rOH) allows us to demonstrate bond selected bimolecular chemistry in which the reaction produces only OD. This observation suggests a general approach to assessing bond controlled reactions in a variety of systems.

Two Different Barium(II) 2D Coordination Polymers Constructed with Pyrazine-2,3-Dicarboxylate: Synthesis, Crystal Structures, and Thermal Decomposition to Barium(II) Carbonate Nanoparticles

2016 ◽  
Vol 69 (11) ◽  
pp. 1261 ◽  
Author(s):  
Masoumeh Tabatabaee ◽  
Boris-Marko Kukovec ◽  
Saeed Amjad ◽  
Masoud R. Shishebor
Keyword(s):  
Thermal Decomposition ◽  
Dicarboxylic Acid ◽  
Crystal Structures ◽  
Coordination Polymers ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Experimental Conditions ◽  
X Ray ◽  
Chloride Dihydrate ◽  
Coordinated Water

Two novel barium(ii) 2D coordination polymers, {[Ba(µ-H2O)(H2O)2(µ-pyzdc)]}n (1) and {[Ba(H2O)2(µ-Hpyzdc)(Hpyzdc)]⋅2H2O}n (2) (pyzdcH2 = pyrazine-2,3-dicarboxylic acid), were prepared by reaction of barium(ii) chloride dihydrate and pyrazine-2,3-dicarboxylic acid under similar experimental conditions (slightly different pH values) and characterised by elemental analysis, IR spectroscopy, and thermogravimetric analysis/differential thermal analysis methods. Their crystal structures were determined by single-crystal X-ray structure analysis and it was revealed that the barium(ii) ion has a distorted bicapped square antiprismatic coordination geometry in 1 and a distorted tricapped trigonal prismatic geometry in 2, composed of water molecules, carboxylate O, and pyrazine N atoms in both cases. The polymers 1 and 2 have different connectivity, as the pyrazine-2,3-dicarboxylate ion acts as multidentate bridging ligand in both 1 and 2, but also as an N,O′-bidentate terminal ligand in 2. There are terminal coordinated water molecules in both 1 and 2, but bridging water molecules are present only in 1 and water molecules of crystallisation only in 2. BaCO3 nanoparticles were formed by thermal decomposition of 1 in the presence of polyethylene glycol, and their structure and morphology were studied by powder X-ray diffraction and scanning electron microscopy. According to the powder X-ray diffraction pattern, BaCO3 was formed with an orthorhombic witherite structure.

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