title: Infrared vibrational spectroscopy of [Ru(bpy)2(bpm)]2+ and [Ru(bpy)3]2+ in the excited triplet state.
abstract: This work involved a detailed investigation into the infrared vibrational spectra of ruthenium polypyridyl complexes, specifically heteroleptic [Ru(bpy)2(bpm)](2+) (bpy = 2,2'-bipyridine and bpm = 2,2'-bipyrimidine) and homoleptic [Ru(bpy)3](2+), in the excited triplet state. Transient spectra were acquired 500 ps after photoexcitation, corresponding to the vibrational ground state of the excited triplet state, using time-resolved infrared spectroscopy. We assigned the observed bands to specific ligands in [Ru(bpy)2(bpm)](2+) based on the results of deuterium substitution and identified the corresponding normal vibrational modes using quantum-chemical calculations. Through this process, the more complex vibrational bands of [Ru(bpy)3](2+) were assigned to normal vibrational modes. The results are in good agreement with the model in which excited electrons are localized on a single ligand. We also found that the vibrational bands of both complexes associated with the ligands on which electrons are little localized appear at approximately 1317 and 1608 cm(-1). These assignments should allow the study of the reaction dynamics of various photofunctional systems including ruthenium polypyridyl complexes.
authors: Department of Chemistry and Materials Science, Tokyo Institute of Technology , O-okayama, Meguro-ku, Tokyo 152-8551, Japan.
authors: Tatsuhiko
authors: T
authors: Mukuta
authors: Naoto
authors: N
authors: Fukazawa
authors: Kei
authors: K
authors: Murata
authors: Akiko
authors: A
authors: Inagaki
authors: Munetaka
authors: M
authors: Akita
authors: Sei'ichi
authors: S
authors: Tanaka
authors: Shin-ya
authors: SY
authors: Koshihara
authors: Ken
authors: K
authors: Onda
mesh_terms: D015082:2,2'-Dipyridyl / Q000031:analogs & derivatives* / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D011789:Quantum Theory; D012428:Ruthenium / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014732:Vibration
chemical_list: D056831:Coordination Complexes; D009942:Organometallic Compounds; C103599:bis(bipyridyl)ruthenium(II); D015082:2,2'-Dipyridyl; D012428:Ruthenium