Possible Existence of a Symmetrical O···H···O Hydrogen Bond in Nickel Dimethylglyoxime

Godycki, L. E.; Rundle, R. E.; Voter, R. C.; Banks, Charles V.

doi:10.1063/1.1748505

Cited by 29 publications

(10 citation statements)

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“…The now classical example of coordination enhancement by hydrogen bonding, far before our work,7 was no doubt the very stable Ni(Hdmg) 2 (H 2 dmg = dimethylglyoxime), where the square-planar coordination for Ni(II) is stabilized by intramolecular, inter-ligand O-H-O hydrogen bonds, as shown in structure 1 in Fig. 1.…”

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confidence: 66%

Coordination chemistry beyond Werner: interplay between hydrogen bonding and coordination

Reedijk

2013

Chem. Soc. Rev.

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A tutorial review is presented dealing with the role of hydrogen bonding in coordination compounds. Examples are given for important intramolecular hydrogen bonding, and stabilising unusual coordination geometries, or reactive species. Also examples are discussed for intermolecular H-bonds between coordination entities and anions, and for stabilising crystal lattices, like in coordination polymers.

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confidence: 66%

Coordination chemistry beyond Werner: interplay between hydrogen bonding and coordination

Reedijk

2013

Chem. Soc. Rev.

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“…The variations in the different types of hydrogen bonding in the fluoride clusters can be effectively visualized by examination of the highest occupied molecular orbital with sigma character (σ-HOMO) for each system. Following Rundle and Pimentel, if we consider a hydrogen bond as a 3-center, 4-electron bond, a perfectly symmetric hydrogen bond would be expected to exhibit a symmetric σ-HOMO with nonbonding character, as would an ion-pair hydrogen bond. However, an asymmetric hydrogen bond would yield pronounced amplitude in the σ-HOMO on the less electronegative species. ,, To examine these predictions more closely, the HOMOs for all five fluoride systems are displayed in Figures and .…”

Section: Resultsmentioning

confidence: 99%

Energetics, Thermodynamics, and Hydrogen Bonding Diversity in Ammonium Halide Clusters

2016

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Contributions from different intermolecular and interionic forces, as well as variations in bond energies, produce size-dependent variations in the structures of acid-base molecular clusters. In this work the structures and interaction energetics of cluster particles with the nominal formulas (NHX), X = (F, Cl, Br) are predicted using either "mag-walking" sawtooth simulated annealing Monte Carlo calculations or model building, followed by M06-2X or RI-MP2 geometry optimization and single-point energy calculations. Whereas the n = 1 clusters all exhibit a single hydrogen bond, small (NHF) particles (n = 2-5) exhibit three distinct types of hydrogen bonds as a function of size (traditional, ion-pair and proton-shared). However, (NHBr) and (NHCl) particles (n = 2-13) all solely exhibit ion-pair hydrogen bonding, with even values of n exhibiting pronounced relative stability. The computed differential interaction energy of the bromide and chloride systems is generally near the bulk limit of the difference in their accepted lattice energies, despite the fact that their structures do not resemble the bulk crystal structures. Nanoparticle growth reactions are predicted to be thermodynamically spontaneous under standard conditions, with significant size and system dependencies. This work is designed to further our understanding of the nature of hydrogen bonding and other intermolecular forces, particularly within ionic nanocrystallites, as well as the thermodynamics of cluster formation.

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“…A preliminary investigation of the structure of nickel salicylaldoxime was made by Cox, Pinkard, Wardlaw & Webster (1935), who showed the crystals to be monoclinic, space group, P21/n--C~h; a----13.63, b = 4-89, c = 10.20 J~, fl --110 ° 30' and Z = 2. Since the nickel atoms must be at symmetry centers and the molecules must be centrosymmetrical, this substance was selected for further study because of the ease of determination and, furthermore, the comparison of this structure and that of nickel dimethylglyoxime (Godycki, Rundle, Voter & Banks, 1951;Godycki & Rundle, 1953) might b'e interesting.…”

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confidence: 99%

The crystal structure of nickel salicylaldoxime

Merritt¹,

Guare²,

Lessor³

1956

Acta Cryst

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The structure of nickel salicylaldoxime, Ni[OCCeH4CH =NOtt] 2, has been studied by X-ray singlecrystal methods. The unit cell is monoelinic, space group P21/n, two molecules per unit cell, and a ----13.83, b ----4.89, c ----10.20 A, fl ---110 ° 26'. The nickel atoms are required to be at symmetry centers and the bonds around the nickel atom must be in a trans planar arrangement. The whole molecule is planar. There appears to be a very strong, short, hydrogen bond (2-52 A) between the phenolic oxygen atom of one organic residue and the oxime oxygen atom of the second organic residue in each molecule.

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Possible Existence of a Symmetrical O···H···O Hydrogen Bond in Nickel Dimethylglyoxime

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Cited by 29 publications

References 4 publications

Coordination chemistry beyond Werner: interplay between hydrogen bonding and coordination

Coordination chemistry beyond Werner: interplay between hydrogen bonding and coordination

Energetics, Thermodynamics, and Hydrogen Bonding Diversity in Ammonium Halide Clusters

The crystal structure of nickel salicylaldoxime

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