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Structural systematics of the [Cu(chelate)(3)][Y](2) series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2 ' bipyridyl)copper(II) tetraphenylborate and tris(2,2 ' bipyridyl)zinc(II) tetraphenylborate

Structural systematics of the [Cu(chelate)(3)][Y](2) series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2 ' bipyridyl)copper(II) tetraphenylborate and tris(2,2 ' bipyridyl)zinc(II) tetraphenylborate
Structural systematics of the [Cu(chelate)(3)][Y](2) series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2 ' bipyridyl)copper(II) tetraphenylborate and tris(2,2 ' bipyridyl)zinc(II) tetraphenylborate
The crystal structures of [Cu(bipy)(3)][BPh4](2), 1, and [Zn(bipy)(3)][BPh4](2), 2 have been determined at low temperature. 1 and 2 are closely related, but are not isostructural. Both contain a two-dimensional supramolecular construct (SC) involving a sandwich structure. 1 has a six-coordinate CuN6 chromophore with a regular elongated octahedral stereochemistry and rhombic in-plane bond lengths. The associated tetragonality value, T, of 1 is 0.8868. 2 involves a six-coordinate octahedral chromophore. Differences between 1 and 2 relate to the tendency of copper(II) complexes to undergo a Jahn-Teller (JT) distortion. The zinc( II) cation feels solely the host site strain, whereas the copper( II) cation also involves vibronic JT type coupling. The copper polyhedron geometry is characterized by both phenomena, with the vibronic interaction dominating. Scatter plot analysis involving the tris-chelate copper( II) series suggests that neither pure Q(theta) or Q(epsilon) components or the a(2u) mode operate in isolation over the entire series. All three operate in combination with varying quanti. able contributions, leading to distortion from the regular tetragonal octahedral stereochemistry.
phen equals 1, 10-phenanthroline, spin resonance-spectra, electronic-properties, copper(ii) complexes, molecular-structure, bromide monohydrate, epr-spectrum, perchlorate, pathways, dependence
1477-9226
357-367
Murphy, Brian
9305451e-597e-4c5d-9592-85edddb623c0
Aljabri, Moza
dd94598f-77e2-40c7-afe2-30bfb0d265a5
Ahmed, Aaleya Mohamed
3ac074be-a370-4a75-98d8-a71ec7dda672
Murphy, Gillian
bc20be6b-53b4-47ca-8604-f9fad120bb77
Hathaway, Brian J.
49a676bd-a65d-4b77-83f2-3715ed31d376
Light, Mark E.
cf57314e-6856-491b-a8d2-2dffc452e161
Geilbrich, Thomas
60dde464-85b7-4c22-985d-56ad0426232c
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Murphy, Brian
9305451e-597e-4c5d-9592-85edddb623c0
Aljabri, Moza
dd94598f-77e2-40c7-afe2-30bfb0d265a5
Ahmed, Aaleya Mohamed
3ac074be-a370-4a75-98d8-a71ec7dda672
Murphy, Gillian
bc20be6b-53b4-47ca-8604-f9fad120bb77
Hathaway, Brian J.
49a676bd-a65d-4b77-83f2-3715ed31d376
Light, Mark E.
cf57314e-6856-491b-a8d2-2dffc452e161
Geilbrich, Thomas
60dde464-85b7-4c22-985d-56ad0426232c
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da

Murphy, Brian, Aljabri, Moza, Ahmed, Aaleya Mohamed, Murphy, Gillian, Hathaway, Brian J., Light, Mark E., Geilbrich, Thomas and Hursthouse, Michael B. (2006) Structural systematics of the [Cu(chelate)(3)][Y](2) series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2 ' bipyridyl)copper(II) tetraphenylborate and tris(2,2 ' bipyridyl)zinc(II) tetraphenylborate. Dalton Transactions, (2), 357-367. (doi:10.1039/b509070a).

Record type: Article

Abstract

The crystal structures of [Cu(bipy)(3)][BPh4](2), 1, and [Zn(bipy)(3)][BPh4](2), 2 have been determined at low temperature. 1 and 2 are closely related, but are not isostructural. Both contain a two-dimensional supramolecular construct (SC) involving a sandwich structure. 1 has a six-coordinate CuN6 chromophore with a regular elongated octahedral stereochemistry and rhombic in-plane bond lengths. The associated tetragonality value, T, of 1 is 0.8868. 2 involves a six-coordinate octahedral chromophore. Differences between 1 and 2 relate to the tendency of copper(II) complexes to undergo a Jahn-Teller (JT) distortion. The zinc( II) cation feels solely the host site strain, whereas the copper( II) cation also involves vibronic JT type coupling. The copper polyhedron geometry is characterized by both phenomena, with the vibronic interaction dominating. Scatter plot analysis involving the tris-chelate copper( II) series suggests that neither pure Q(theta) or Q(epsilon) components or the a(2u) mode operate in isolation over the entire series. All three operate in combination with varying quanti. able contributions, leading to distortion from the regular tetragonal octahedral stereochemistry.

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More information

Published date: 2006
Keywords: phen equals 1, 10-phenanthroline, spin resonance-spectra, electronic-properties, copper(ii) complexes, molecular-structure, bromide monohydrate, epr-spectrum, perchlorate, pathways, dependence

Identifiers

Local EPrints ID: 44508
URI: http://eprints.soton.ac.uk/id/eprint/44508
ISSN: 1477-9226
PURE UUID: fba4c761-1d21-4f51-b843-5379c291a07a
ORCID for Mark E. Light: ORCID iD orcid.org/0000-0002-0585-0843

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Date deposited: 01 Mar 2007
Last modified: 19 Nov 2019 01:53

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