Synthesis Structures and Excited State Geometries of Alkynylgold I Complexes       
Yazarlar (5)
Lei Gao
Case Western Reserve University, Amerika Birleşik Devletleri
David V. Partyka
Llc, Amerika Birleşik Devletleri
James B. Updegraff
Case Western Reserve University, Amerika Birleşik Devletleri
Prof. Dr. Nihal DELİGÖNÜL Case Western Reserve University, Amerika Birleşik Devletleri
Thomas G. Gray
Case Western Reserve University, Amerika Birleşik Devletleri
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı European Journal of Inorganic Chemistry
Dergi ISSN 1434-1948 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q4
Makale Dili İngilizce
Basım Tarihi 06-2009
Cilt No 2009
Sayı 18
Sayfalar 2711 / 2719
DOI Numarası 10.1002/ejic.200900307
Makale Linki http://doi.wiley.com/10.1002/ejic.200900307
Özet
A series of phosphane- and (N-heterocyclic carbene)gold(I) complexes were prepared by deprotonation of terminal alkyne precursors and reaction with the corresponding gold(I) chlorides. Some ten new compounds are reported; these are characterized by multinuclear NMR, optical spectroscopy, and elemental analysis. Crystallographic characterization is reported for five complexes. Organogold species bearing conjugated aryl substituents on the alkynyl ligand are luminescent. Density-functional theory calculations on a model complex suggest that emission and the first several absorption transitions result from excited states dominated by the arylacetylide ligand. Excited-state geometry optimization finds that the lowest-energy triplet state bears linear, two-coordinate gold(I) with a miniscule lengthening of the alkynyl carbon-carbon bond. An unusual triplet excited state having a bent geometry at gold lies at higher energy in arylacetylide complexes. For the model terminal acetylideMe3PAuC≡CH, the calculations find this bent state to be the lowest-energy triplet.
Anahtar Kelimeler
Gold | Alkynyl complexes | Luminescence | Triplet states | Density-functional theory