On the performance of the M-C (M = Fe, Ru, Os) unit toward methane activation

Gas-phase reactions of [MC] + (M = Os and Ru) with methane at ambient temperature have been studied by using quadrupole-ion trap (Q-IT) mass spectrometry combined with quantum chemical calculations. Theoretical calculations reveal the influence of electronic signatures and that it is the energy gap...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2023-09, Vol.25 (36), p.24287-24292
Hauptverfasser:	Li, Shihan, Qian, Chao, Wu, Xiao-Nan, Zhou, Shaodong
Format:	Artikel
Sprache:	eng
Schlagworte:	Ambient temperature Carbyne Charge distribution Dipole moments Energy gap Hydrogen bonds Mass spectrometry Mathematical analysis Methane Molecular orbitals Quadrupoles Quantum chemistry
Online-Zugang:	Volltext
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