Red Shifts upon Metal Binding A Di Gold I Substituted Bithiophene
Yazarlar (4)
Miya A. Peay
Case Western Reserve University, Amerika Birleşik Devletleri
Case Western Reserve University, Amerika Birleşik Devletleri
James E. Heckler
Case Western Reserve University, Amerika Birleşik Devletleri
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
Case Western Reserve University, Amerika Birleşik Devletleri
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Organometallics | ||
| Dergi ISSN | 0276-7333 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2011 |
| Cilt / Sayı / Sayfa | 30 / 18 / 5071–5074 | DOI | 10.1021/om2003267 |
| Makale Linki | http://pubs.acs.org/doi/abs/10.1021/om2003267 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
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| Özet |
| 5,5′-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2′-bithiophene was metalated with (triphenylphosphine)gold(I) at the 5,5′-positions to yield a di-gold(I)-substituted bithiophene. The resulting complex was characterized by X-ray diffraction crystallography, optical spectroscopy, and elemental analysis. The digold bithiophene complex emits green, structured luminescence in chloroform. Its absorption profile is red-shifted from those of 2,2′-bithiophene or the boronate ester starting material. Density-functional theory (DFT) calculations indicate that the frontier orbitals of the digold complex concentrate on the bithienyl bridge. Time-dependent DFT calculations find that the LUMO←HOMO promotion mostly accounts for the absorption onset in all three compounds and that configuration interaction with vacant orbitals on gold modulates this transition. This interaction contributes to red-shifted absorption profiles of … |
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BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 11 |
| Scopus | 13 |
| Google Scholar | 16 |