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An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.

Abstract:

Uranium complexes of bis(p-tert-butyl-salicylidene)-1,2-diphenylethylenediamine (1) and bis(salicylidene)-1,2-diphenylethylenediamine (2) have been synthesized and investigated by X-ray single crystal diffraction and MD calculations in Periodic Boundary Conditions. Both compounds form crystals which are densely packed and do not provide voids accessible to solvent molecules. The configurations adopted by 1 and 2 are determined by well defined T-shaped and π-stacking non covalent interactions ...

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Publication status:
Published

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Publisher copy:
10.1039/c1dt11758k

Authors


Lombardo, GM More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Ballistreri, FP More by this author
Pappalardo, A More by this author
Sfrazzetto, GT More by this author
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Journal:
Dalton transactions (Cambridge, England : 2003)
Volume:
41
Issue:
7
Pages:
1951-1960
Publication date:
2012-02-05
DOI:
EISSN:
1477-9234
ISSN:
1477-9226
URN:
uuid:f10140bd-686d-404a-94e5-e753ecf1f40e
Source identifiers:
254549
Local pid:
pubs:254549

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