Electronic structures of copper(II) complexes of tetradentate hydroquinone-containing Schiff bases †

Charles, Elizabeth H.; Chia, Li Mei Lindy; Rothery, Joanne; Watson, Emma; McInnes, Eric J. L.; Farley, Rebecca; Bridgeman, Adam J.; Mabbs, Frank E.; Rowlands, Christopher C.; Halcrow, Malcolm A.

doi:10.1039/a902294e

Cited by 21 publications

(14 citation statements)

References 55 publications

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“…They were obtained by using routine synthetic methods of condensation of aldehydes with appropriate amines. [19] Single-crystal, high resolution, low temperature X-ray diffraction data for S4 compound were collected for a single crystal of dimensions 0.35 [20] and SORTAV. [21] The S5 crystal (dimension 0.30 0.30 0.20 mm 3 ) data were collected by using the Rigaku RAPID curved IP system equipped with AFC-9 goniostat and controlled by HKL2000 [20] program suite.…”

Section: Methodsmentioning

confidence: 99%

Continua of Interactions between Pairs of Atoms in Molecular Crystals

Dominiak

Makal

Mallinson

et al. 2006

Chemistry A European J

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The electron density distributions in crystals of five previously studied DMAN complexes and five Schiff bases (two new ones) have been analysed in terms of various properties of bond critical points (BCPs) found in the pair-wise interactions in their lattices. We analysed the continua of interactions including covalent/ionic bonds as well as hydrogen bonds and all other types of weak interactions for all pairs of interacting atoms. The charge density at BCPs and local kinetic and potential energy densities vary exponentially with internuclear distance (or other measures of separation). The parameters of the dependences appear to be characteristics of particular pairs of atom types. The Laplacian and the total (sum of kinetic and potential) energy density at BCPs show similar behaviour with the dependence being of the Morse type. The components lambda1, lambda2, lambda3 of the Laplacian at BCPs vary systematically with internuclear distance according to the type of atom pair. For lambda1 and lambda2 the distribution is of the exponential type, whereas lambda3 does not seem to follow any simple functional form, consistent with previous theoretical findings. Analytical nonlinear dependences of Laplacian on charge density have been found. They agree reasonably well with those obtained by least square fit of the Laplacian to charge density data. There are four distinct regions of the [symbol: see text]2rho(BCP)/rho(BCP) space, generated by E(BCP) = 0 and G(BCP)/rho(BCP) = 1 conditions. Two regions clearly correspond to the shared-shell and closed-shell interactions and the other two to some intermediate situation.

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Section: Methodsmentioning

confidence: 99%

Continua of Interactions between Pairs of Atoms in Molecular Crystals

Dominiak

Makal

Mallinson

et al. 2006

Chemistry A European J

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“…The nomenclature used to describe the voltammetric processes undergone by these complexes follows our earlier electrochemical study of other hydroquinone-containing Schiff base complexes. 15 The CV of HL 1 in MeCN shows a single irreversible oxidation ('P1') at E pa = ϩ0.20 V which exhibits two irreversible daughter processes: a weak irreversible peak ('P2') at E pc = Ϫ0.42 V; and a stronger, broad quasi-reversible couple ('P3/P4') at E 1/2 = Ϫ0.99 V (∆E p = 310 mV). This pattern of daughter peaks, and their potentials, are all very similar to those we have previously reported for H 2 L 4 .…”

Section: Electrochemistrymentioning

confidence: 98%

“…12- 14 We have recently described a synthetic, spectroscopic and electrochemical study of a series of salen-analogue Schiff base complexes derived from 2,5-dihydroxybenzaldehyde. 15 This study showed that Schiff base formation was potentially a facile route to the incorporation of a hydroquinone moiety into a polydentate ligand. As a complement to our continuing work on galactose oxidase model chemistry, 16 we have, therefore, embarked on a program to prepare new Cu II /quinone or Cu II / hydroquinone complexes to attempt to address the role of copper in CAO catalysis.…”

Section: Introductionmentioning

confidence: 96%

Copper(II) complexes of hydroquinone-containing Schiff bases. Towards a structural model for copper amine oxidases

Solanki

Ehrenberg

et al. 2000

J. Chem. Soc., Dalton Trans.

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“…4.2.11. (1R,2R)-[N,N-Bis-(2 0 ,5 0 -dihydroxybenzylidene)]-1,2-diaminocyclohexane 41. To a stirred mixture of 2,5-dihydroxybenzaldehyde (2.0 g, 14.48 mmol) in methanol (100 mL) was added a solution of (1R,2R)-diaminocyclohexane dihydrochloride (1.35 g, 7.24 mmol) and sodium methoxide (0.78 g, 14.48 mmol) in methanol (100 mL) at room temperature.…”

mentioning

confidence: 99%