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Akademisyenler > Emine Esra KASAPBAŞI > Yayın Detayı

On the nature of the photochemical reaction of polypyridyl Ru II complexes leading to sunlight tochemical energy conversion density functional analysis      
Yazarlar (2)
Prof. Dr. Emine Esra KASAPBAŞI Prof. Dr. Emine Esra KASAPBAŞI
İstanbul Aydın Üniversitesi, Türkiye
Myung-Hwan Whangbo
Nc State University, Amerika Birleşik Devletleri
Devamını Göster
Özet
We investigated the nature of the visible-light-driven photochemical reactions of the Ru(ii) polypyridyl complexes [Ru(ii)(L)(bpy) 2](PF6)n (bpy = 2,2′-bipyridine; L = phbn, n = 1; L = pad, n = 1; L = pbn, n = 2) with Et3N as a sacrificial reductant on the basis of density functional calculations. It is estimated that the reduction of the photo-excited species [Ru*(II)(L)(bpy) 2]n+ to [Ru(ii)(L-) (bpy)2] (n-1)+ is moderately endothermic, the protonation of the latter to [Ru(ii)(LH)(bpy)2]n+ substantially exothermic, and the bimolecular hydrogen-transfer interaction of the latter to [Ru(ii)(LHH)(bpy) 2]n+ and [Ru(ii)(L)(bpy)2]n+ weakly exothermic. The amount of visible-light energy that the Ru(ii) polypyridyl complexes 1-3 can store by forming one N-H and one C-H bond is of the order of ∼20-30 kcal mol-1. The visible-light absorption of [Ru(ii)(L)(bpy)2]n+ forming the photo-excited species [Ru*(II)(L)(bpy)2]n+ induces electron loss in the ligand L, showing that the character of the ligand-to-metal charge transfer is stronger than that of the metal-to-ligand charge transfer. © 2013 The Royal Society of Chemistry.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı Rsc Advances
Dergi ISSN 2046-2069 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SSCI
Dergi Grubu Q4
Makale Dili İngilizce
Basım Tarihi 01-2013
Cilt No 3
Sayı 24
Sayfalar 9414 / 9418
DOI Numarası 10.1039/c3ra41195h
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
On the nature of the photochemical reaction of polypyridyl Ru II complexes leading to sunlight tochemical energy conversion density functional analysis

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