Revealing Excited-State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time.

التفاصيل البيبلوغرافية
العنوان:	Revealing Excited-State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time.
المؤلفون:	Leshchev D; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA., J S Valentine A; Department of Chemistry, University of Washington, WA 98195, Seattle, USA., Kim P; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA.; Chemical Science and Engineering Division, Argonne National Laboratory, IL 60439, Lemont, USA., Mills AW; Department of Chemistry, University of Washington, WA 98195, Seattle, USA., Roy S; Department of Chemistry, North Carolina State University, NC 27695-8204, Raleigh, USA., Chakraborty A; Department of Chemistry, North Carolina State University, NC 27695-8204, Raleigh, USA., Biasin E; Physical Sciences Division, Pacific Northwest National Laboratory, WA 99352, Richland, USA., Haldrup K; Physics Department, Technical University of Denmark, 2800 Kongens, Lyngby, Denmark., Hsu DJ; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA., Kirschner MS; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA., Rimmerman D; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA., Chollet M; SLAC National Accelerator Laboratory, Stanford University, CA 94025, Menlo Park, USA., Glownia JM; SLAC National Accelerator Laboratory, Stanford University, CA 94025, Menlo Park, USA., van Driel TB; SLAC National Accelerator Laboratory, Stanford University, CA 94025, Menlo Park, USA., Castellano FN; Department of Chemistry, North Carolina State University, NC 27695-8204, Raleigh, USA., Li X; Department of Chemistry, University of Washington, WA 98195, Seattle, USA., Chen LX; Department of Chemistry, Northwestern University, IL 60208, Evanston, USA.; Chemical Science and Engineering Division, Argonne National Laboratory, IL 60439, Lemont, USA.
المصدر:	Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2023 Jul 10; Vol. 62 (28), pp. e202304615. Date of Electronic Publication: 2023 May 31.
نوع المنشور:	Journal Article
اللغة:	English
بيانات الدورية:	Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773 (Electronic) Linking ISSN: 14337851 NLM ISO Abbreviation: Angew Chem Int Ed Engl Subsets: PubMed not MEDLINE; MEDLINE
أسماء مطبوعة:	Publication: <2004-> : Weinheim : Wiley-VCH Original Publication: Weinheim/Bergstr. : New York, : Verlag Chemie ; Academic Press, c1962-
مستخلص:	Photoexcited molecular trajectories on potential energy surfaces (PESs) prior to thermalization are intimately connected to the photochemical reaction outcome. The excited-state trajectories of a diplatinum complex featuring photo-activated metal-metal σ-bond formation and associated Pt-Pt stretching motions were detected in real time using femtosecond wide-angle X-ray solution scattering. The observed motions correspond well with coherent vibrational wavepacket motions detected by femtosecond optical transient absorption. Two key coordinates for intersystem crossing have been identified, the Pt-Pt bond length and the orientation of the ligands coordinated with the platinum centers, along which the excited-state trajectories can be projected onto the calculated PESs of the excited states. This investigation has gleaned novel insight into electronic transitions occurring on the time scales of vibrational motions measured in real time, revealing ultrafast nonadiabatic or non-equilibrium processes along excited-state trajectories involving multiple excited-state PESs. (© 2023 The Authors. Published by Wiley-VCH GmbH.)
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معلومات مُعتمدة:	DE-AC02-06CH11357 CBGS, Basic Energy Sciences, US Department of Energy
فهرسة مساهمة:	Keywords: Excited States; Intersystem Crossing; Platinum; Transition-Metal Complexes; Ultrafast Spectroscopy
تواريخ الأحداث:	Date Created: 20230428 Date Completed: 20230704 Latest Revision: 20230704
رمز التحديث:	20230704
DOI:	10.1002/anie.202304615
PMID:	37114904
قاعدة البيانات:	MEDLINE

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تدمد:	1521-3773
DOI:	10.1002/anie.202304615