Source:http://linkedlifedata.com/resource/pubmed/id/18257522
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
5
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pubmed:dateCreated |
2008-2-25
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pubmed:abstractText |
The tungsten nitrido species, [W(mu-N)(CH2-t-Bu)(OAr)2]2 (Ar = 2,6-diisopropylphenyl), has been prepared in a reaction between the alkylidyne species, W(C-t-Bu)(CH2-t-Bu)(OAr)2, and organonitriles. The dimeric nature of the nitride was established in the solid state through an X-ray study and in solution through a combination of 15N NMR spectroscopy and vibrational spectroscopy. Reaction of the nitride with trimethylsilyl trifluoromethanesulfonate afforded the monomeric trimethylsilyl imido species, W(NSiMe3)(CH2-t-Bu)(OAr)2(OSO2CF3), which was also characterized crystallographically. The W2N2 core can be reduced by one electron electrochemically or in bulk with metallocenes to afford the radical anion, {n-Bu4N}{[W(mu-N)(CH2-t-Bu)(OAr)2]2}. Density functional theory calculations suggest that the lowest-energy allowable transition in [W(mu-N)(CH2-t-Bu)(OAr)2]2 is from a highest occupied molecular orbital consisting largely of ligand-based lone pairs into what is largely a metal-based lowest unoccupied molecular orbital.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:status |
PubMed-not-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 |
3
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pubmed:volume |
47
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1560-7
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pubmed:year |
2008
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pubmed:articleTitle |
A tungstenVI nitride having a W2(mu-N)2 core.
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pubmed:affiliation |
Department of Chemistry 6-331, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.
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pubmed:publicationType |
Journal Article
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