ChemInform Abstract: Generation of “Bare” FeF+ by C-F Bond Activation in the Gas Phase and Evaluation of Thermochemical Data.

ChemInform ◽  
2010 ◽  
Vol 24 (9) ◽  
pp. no-no
Author(s):  
D. SCHROEDER ◽  
J. HRUSAK ◽  
H. SCHWARZ
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Thermochemical Data

Dissecting transmetalation reactions at the molecular level: C–B versus F–B bond activation in phenyltrifluoroborate silver complexes

2021 ◽  
Vol 50 (4) ◽  
pp. 1496-1506
Author(s):  
Fiona Bathie ◽  
Adam W. E. Stewart ◽  
Allan J. Canty ◽  
Richard A. J. O'Hair
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Molecular Level ◽  
Silver Complexes ◽  
Fundamental Model ◽  
Model Reactions

Gas-phase experiments and computation provide fundamental model reactions for aryl and fluoride transfer between silver and boron centres.

Ab initio calculation of the thermochemical data on the H3O++H2O=H5O+2 gas‐phase clustering

1984 ◽  
Vol 80 (4) ◽  
pp. 1576-1578 ◽  
Author(s):  
Shinichi Yamabe ◽  
Tsutomu Minato ◽  
Kimihiko Hirao
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Calculation ◽  
Thermochemical Data

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase

2006 ◽  
Vol 431 (4-6) ◽  
pp. 223-226 ◽  
Author(s):  
Ze-Yu Liu ◽  
Yong-Cheng Wang ◽  
Zhi-Yuan Geng ◽  
Xiao-Yan Yang ◽  
Han-Qing Wang
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Bond Activation

Generation and Reactivity of Chromium Fluoride Cations (CrF+n, n = 0-4) in the Gas Phase

1998 ◽  
Vol 63 (9) ◽  
pp. 1498-1512 ◽  
Author(s):  
Ulf Mazurek ◽  
Detlef Schröder ◽  
Helmut Schwarz
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Branching Ratio ◽  
Radical Cations ◽  
Reaction Pathways ◽  
Ion Cyclotron Resonance ◽  
Ion Transfer ◽  
Consistent Picture ◽  
Anion Transfer ◽  
Chain Lengths

Gaseous chromium fluoride monocations CrFn+ (n = 1-4) can be prepared by sequential fluorine-atom transfer from nitrogen trifluoride, NF3, to chromium cation. In addition, formal F- anion transfer to CrFn+ (n = 2-4) to yield the corresponding neutral chromium fluorides CrFn+1 is observed. In conjunction with a re-evaluation of previous data, the present results provide a consistent picture of the thermochemistry of neutral and cationic chromium fluorides. The reactivity of the CrFn+ ions towards alkanes is investigated in a Fourier-transform ion cyclotron resonance mass spectrometer. While "bare" Cr+ does not react with alkanes, the chromium fluoride cations CrFn+ do; CrF3+ and CrF4+ are even capable of activating methane. With both increasing oxidation state of chromium and increasing chain lengths of the alkane, the branching ratio of the possible reaction pathways shifts from homolytic C-H and C-C bond activation to hydride- and methanide-ion transfer to yield carbocations, and finally electron transfer generating hydrocarbon radical cations.

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