Proposal to DOE Basic Energy Sciences: Ultrafast X-ray science facility at the Advanced Light Source

Schoenlein, R. W.; Falcone, R. W.; Alivisatos, A. Paul; Belkacem, A.; Berrah, N.; Bozek, John D.; Bressler, Christian; Cavalleri, A.; Chergui, Majed; Glover, T. E.; Heimann, Philip; Hepburn, Joseph S.; Larsson, Jim; Lee, R.W.; McCusker, JamesÂ K.; Padmore, H. A.; Pattison, Philip; Pratt, Scott; Shank, C. V.; Wark, J. S.; Chang, Zenghu; Robin, Daniel; Schlueter, R.D.; Zholents, A.; Zolotorev, M.

doi:10.2172/816276

Cited by 1 publication

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“…The sample was excited by 400 nm laser pulses with 125 mW energy at a repetition rate of 1 kHz and X-ray pulses of $70 ps width probe the transient XAS spectra at the Ru L 3 -edge. 25 DFT was used to optimize the geometric structure of [Ru (m-bpy) 3 ] 2+ with the Gaussian 09 program software package. 26 The structures of 1 A 1 and 3 dd state were fully optimized by the hybrid functional of Perdew, Burke, and Ernzerhof (PBE0) 27 with the def2-SVP basis set.…”

Section: Methodsmentioning

confidence: 99%

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State

Hong

Kim

et al. 2021

Bulletin Korean Chem Soc

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Ru L 3 -edge time-resolved X-ray absorption spectroscopy (TR-XAS) was applied to unravel photo-induced excited state dynamics of solvated [Ru(m-bpy) 3 ] 2+ (m-bpy = 6-methyl-2,2 0 -bipyridine) complex. The Ru L 3 -edge probes 2p core-level transitions, enabling to monitor the electronic structure of excited 3 dd state. TR-XAS and time-dependent density functional theory were utilized to directly visualize the charge density of 3 dd state around the Ru atom during the relaxation cascade of [Ru(m-bpy) 3 ] 2+ complex. The formation of 3 dd state is attributed to the reduced effective ligand field strength, which was derived from the TR-XAS of 3 dd state at 100 ps. These results highlight the role of ligand-field 3 dd state in the photoinduced relaxation dynamics of [Ru(m-bpy) 3 ] 2+ complex.

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Section: Methodsmentioning

confidence: 99%

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State

Hong

Kim

et al. 2021

Bulletin Korean Chem Soc

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show abstract

Proposal to DOE Basic Energy Sciences: Ultrafast X-ray science facility at the Advanced Light Source

Cited by 1 publication

References 160 publications

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State

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Proposal to DOE Basic Energy Sciences: Ultrafast X-ray science facility at the Advanced Light Source

Cited by 1 publication

References 160 publications

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)3]2+ Complex: Electronic Structures of 3dd State

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)3]2+ Complex: Electronic Structures of 3dd State

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Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State

Time‐resolved X‐Ray Absorption Spectroscopy of Solvated [Ru(m‐bpy)₃]²⁺ Complex: Electronic Structures of ³dd State