Source:http://linkedlifedata.com/resource/pubmed/id/11874359
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
5
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pubmed:dateCreated |
2002-3-4
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pubmed:abstractText |
Complexes of salicylhydroxamic acid (shaH) with palladium(II) and platinum(II) were investigated. The synthesis of [Pt(sha)(2)] was attempted via a number of methods, and ultimately (1)H NMR investigations revealed that salicylhydroxamate would not coordinate to chloro complexes of platinum(II). However, [Pt(sha-H)(PPh(3))(2)] was successfully synthesized and the crystal structure determined (orthorhombic, space group Pca2(1) a = 17.9325(19) A, b = 11.3102(12) A, c = 18.2829(19) A, Z = 4, R = 0.0224). The sha binds via an [O,O] binding mode, in its hydroximate form. In contrast the palladium complex [Pd(sha)(2)] was readily synthesized and crystallized as [Pd(sha)(2)](DMF)(4) in the triclinic space group P(-)1,a = 7.066(1) A, b = 9.842(2) A, c = 12.385(2) A, alpha = 99.213(3)(o), beta = 90.669(3), gamma = 109.767(3)(o), Z = 1, R = 0.037. The unexpected [N,O'] binding mode of the salicylhydroxamate ligand in [Pd(sha)(2)] prompted investigation of the stability of a number of binding modes of salicylhydroxamic acid in [M(sha)(2)] (M = Pd, Pt) by density functional theory, using the B3LYP hybrid functional at the 6-311G* level of theory. Geometry optimizations were carried out for various binding modes of the ligands and their relative energies established. It was found that the [N,O'] mode gave the more stable complex, in accord with experimental observations. Stabilization of hydroxamate binding to platinum is evidently afforded by soft ligands lying trans to them.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical |
http://linkedlifedata.com/resource/pubmed/chemical/Enzyme Inhibitors,
http://linkedlifedata.com/resource/pubmed/chemical/Hydroxamic Acids,
http://linkedlifedata.com/resource/pubmed/chemical/Ligands,
http://linkedlifedata.com/resource/pubmed/chemical/Metalloendopeptidases,
http://linkedlifedata.com/resource/pubmed/chemical/Organometallic Compounds,
http://linkedlifedata.com/resource/pubmed/chemical/Palladium,
http://linkedlifedata.com/resource/pubmed/chemical/Salicylamides,
http://linkedlifedata.com/resource/pubmed/chemical/salicylhydroxamic acid
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pubmed:status |
MEDLINE
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pubmed:month |
Mar
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pubmed:issn |
0020-1669
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:day |
11
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pubmed:volume |
41
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1223-8
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:11874359-Crystallography, X-Ray,
pubmed-meshheading:11874359-Enzyme Inhibitors,
pubmed-meshheading:11874359-Hydroxamic Acids,
pubmed-meshheading:11874359-Ligands,
pubmed-meshheading:11874359-Magnetic Resonance Spectroscopy,
pubmed-meshheading:11874359-Metalloendopeptidases,
pubmed-meshheading:11874359-Molecular Conformation,
pubmed-meshheading:11874359-Molecular Structure,
pubmed-meshheading:11874359-Organometallic Compounds,
pubmed-meshheading:11874359-Palladium,
pubmed-meshheading:11874359-Salicylamides
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pubmed:year |
2002
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pubmed:articleTitle |
Structural investigations of palladium(II) and platinum(II) complexes of salicylhydroxamic acid.
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pubmed:affiliation |
Centre for Heavy Metals Research, School of Chemistry, The University of Sydney, New South Wales 2006, Australia.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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