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Main Title: On the crucial role of isolated electronic states in the thermal reaction of ReC+ with dihydrogen
Author(s): Li, Jilai
Geng, Caiyun
Weiske, Thomas
Schwarz, Helmut
Type: Article
Language Code: en
Abstract: Presented here is that isolated, long-lived electronic states of ReC+ serve as the root cause for distinctly different reactivities of this diatomic ion in the thermal activation of dihydrogen. Detailed high-level quantum chemical calculations support the experimental findings obtained in the highly diluted gas phase using FT-ICR mass spectrometry. The origin for the existence of these long-lived excited electronic states and the resulting implications for the varying mechanisms of dihydrogen splitting are addressed.
Issue Date: 17-Mar-2020
Date Available: 10-Jun-2021
DDC Class: 547 Organische Chemie
Subject(s): gas-phase reactions
metal carbides
noble metals
transition states
Sponsor/Funder: DFG, 390540038, EXC 2008: Unifying Systems in Catalysis "UniSysCat"
TU Berlin, Open-Access-Mittel – 2020
Journal Title: Angewandte Chemie
Publisher: Wiley
Publisher Place: New York, NY
Volume: 59
Issue: 24
Publisher DOI: 10.1002/anie.202001599
Page Start: 9370
Page End: 9376
EISSN: 1521-3773
ISSN: 1433-7851
Appears in Collections:FG Organische Chemie » Publications

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