| pubmed-article:15369373 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C0038774 | lld:lifeskim |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C0542341 | lld:lifeskim |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C1442792 | lld:lifeskim |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C0678544 | lld:lifeskim |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C0678257 | lld:lifeskim |
| pubmed-article:15369373 | lifeskim:mentions | umls-concept:C2717935 | lld:lifeskim |
| pubmed-article:15369373 | pubmed:issue | 30 | lld:pubmed |
| pubmed-article:15369373 | pubmed:dateCreated | 2004-9-16 | lld:pubmed |
| pubmed-article:15369373 | pubmed:abstractText | The pterin-dithiolene cofactor is an essential component of the catalytic sites of all molybdoenzymes except nitrogenase. Understanding its bonding to transition metals allows for development of electronic structure/function correlations in catalysis. The electronic structure description for a series of bis(dithiolene) complexes ([NiL(2)](Z)(), L = 1,2-Me(2)C(2)S(2); Z = 2-, 1-, 0) using sulfur XAS provides the basis for extension to the biologically relevant metal-containing dithiolenes. The transition dipole integral has been developed for the dithiolene sulfur through correlation of XAS pre-edge energy positions of sulfide-, thiolate-, and enedithiolate-S. The ground state wave functions of all three NiL(2) complexes have more than 50% S character experimentally demonstrating the noninnocent behavior of the dithiolene ligand. The S K-edge experimental results are correlated with spin-unrestricted, broken-symmetry density functional calculations. These show only limited spin polarization in the neutral complex and delocalized, ligand based ground states for the mono- and dianionic complexes. These XAS and DFT results are correlated with other spectroscopic features and provide insight into reactivity. | lld:pubmed |
| pubmed-article:15369373 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:language | eng | lld:pubmed |
| pubmed-article:15369373 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:15369373 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15369373 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:15369373 | pubmed:month | Jul | lld:pubmed |
| pubmed-article:15369373 | pubmed:issn | 0002-7863 | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:SolomonEdward... | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:HedmanBrittB | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:HodgsonKeith... | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:SzilagyiRober... | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:GlaserThorste... | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:HolmRichard... | lld:pubmed |
| pubmed-article:15369373 | pubmed:author | pubmed-author:LimBooyong... | lld:pubmed |
| pubmed-article:15369373 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:15369373 | pubmed:day | 30 | lld:pubmed |
| pubmed-article:15369373 | pubmed:volume | 125 | lld:pubmed |
| pubmed-article:15369373 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:15369373 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:15369373 | pubmed:pagination | 9158-69 | lld:pubmed |
| pubmed-article:15369373 | pubmed:dateRevised | 2007-11-14 | lld:pubmed |
| pubmed-article:15369373 | pubmed:meshHeading | pubmed-meshheading:15369373... | lld:pubmed |
| pubmed-article:15369373 | pubmed:meshHeading | pubmed-meshheading:15369373... | lld:pubmed |
| pubmed-article:15369373 | pubmed:meshHeading | pubmed-meshheading:15369373... | lld:pubmed |
| pubmed-article:15369373 | pubmed:meshHeading | pubmed-meshheading:15369373... | lld:pubmed |
| pubmed-article:15369373 | pubmed:meshHeading | pubmed-meshheading:15369373... | lld:pubmed |
| pubmed-article:15369373 | pubmed:year | 2003 | lld:pubmed |
| pubmed-article:15369373 | pubmed:articleTitle | Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy. | lld:pubmed |
| pubmed-article:15369373 | pubmed:affiliation | Contribution from the Department of Chemistry, Stanford University, Stanford, CA 94305, USA. | lld:pubmed |
| pubmed-article:15369373 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:15369373 | pubmed:publicationType | Research Support, U.S. Gov't, P.H.S. | lld:pubmed |
| pubmed-article:15369373 | pubmed:publicationType | Research Support, U.S. Gov't, Non-P.H.S. | lld:pubmed |
| pubmed-article:15369373 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
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