Linked Life Data

15446888

Source:http://linkedlifedata.com/resource/pubmed/id/15446888

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
20
pubmed:dateCreated
2004-9-27
pubmed:abstractText
The isocyanide ligand forms complexes with ruthenium(II) bis-bipyridine of the type [Ru(bpy)(2)(CNx)Cl](CF(3)SO(3)) (1), [Ru(bpy)(2)(CNx)(py)](PF(6))(2) (2), and [Ru(bpy)(2)(CNx)(2)](PF(6))(2) (3) (bpy = 2,2'-bipyridine, py = pyridine, and CNx = 2,6-dimethylphenylisocyanide). The redox potentials shift positively as the number of CNx ligands increases. The metal-to-ligand charge-transfer (MLCT) bands of the complexes are located at higher energy than 450 nm and blue shift in proportion to the number of CNx ligands. The complexes are not emissive at room temperature but exhibit intense structured emission bands at 77 K with emission lifetimes as high as 25 micros. Geometry optimization of the complexes in the singlet ground and lowest-lying triplet states performed using density functional theory (DFT) provides information about the orbital heritage and correlates with X-ray and electrochemical results. The lowest-lying triplet-state energies correlate well with the 77 K emission energies for the three complexes. Singlet excited states calculated in ethanol using time-dependent density functional theory (TDDFT) and the conductor-like polarizable continuum model (CPCM) provide information that correlates favorably with the experimental absorption spectra in ethanol.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Oct
pubmed:issn
0020-1669
pubmed:author
pubmed:issnType
Print
pubmed:day
4
pubmed:volume
43
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
6383-96
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
2004
pubmed:articleTitle
Synthesis, characterization, and photochemical and computational investigations of Ru(II) heterocyclic complexes containing 2,6-dimethylphenylisocyanide (CNx) ligand.
pubmed:affiliation
Department of Chemistry, Wichita State University, 1845 North Fairmount Street, Wichita, Kansas 67260-0051, USA.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, Non-P.H.S., Research Support, Non-U.S. Gov't