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Frontispiece: Mechanistic Aspects of the Holmium‐Mediated, Reciprocal Hydrogen/Sulfur Exchange in the Gas Phase: C 6 H 5 CH 3 +CH 2 S→C 6 H 5 CHS+CH 4
Author(s) -
Zhou Shaodong,
Li Jilai,
Schlangen Maria,
Schwarz Helmut
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201504654
Subject(s) - fourier transform ion cyclotron resonance , gas phase , toluene , hydrogen , chemistry , mass spectrometry , sulfur , fourier transform infrared spectroscopy , holmium , analytical chemistry (journal) , ion , crystallography , physics , organic chemistry , chromatography , quantum mechanics , laser , optics
Gas‐Phase Reactions The thermal reaction of [Ho(CH 2 S)] + with toluene giving rise to [C 6 H 5 CHSHo] + and CH 4 was investigated using Fourier‐transform ion cyclotron resonance (FT‐ICR) mass spectrometry complemented by DFT calculations. The relatively low capability of “bare” Ho + to activate C−H bonds has been attributed to the relatively high promotion energy necessary for Ho + to attain a 4f 10 5d 1 6s 1 configuration as well as the low BDE s(Ho + −H). In their Communication on page 4336 ff., H. Schwarz and co‐workers provide an alternative strategy in which Ho + does function in the activation of toluene.