Thermal C−H Bond Activation of Benzene with Cationic [Pt(CX3)(L)]+Complexes in the Gas Phase: A Combined Experimental/Theoretical Study (X = H, D; L = 1,10-Phenanthroline, 2,2′-Bipyrimidine, 2,2′-Bipyridine, and (o,o′-Cl2C6H3)N═C(CH3)−C(CH3)═N(o,o′-Cl2C6H3))†

2009 ◽  
Vol 28 (15) ◽  
pp. 4340-4349 ◽  
Author(s):  
Burkhard Butschke ◽  
Detlef Schröder ◽  
Helmut Schwarz
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Theoretical Study

A theoretical study of C–C bond activation of C2H4 in gas phase

2009 ◽  
Vol 906 (1-3) ◽  
pp. 31-34 ◽  
Author(s):  
Xiao-Xia Chen ◽  
Xue-Song Feng ◽  
Li-Guo Gao ◽  
Zhen-Yuan Zhao
Keyword(s):  
Gas Phase ◽  
Bond Activation ◽  
Theoretical Study

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

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.

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

Theoretical Study of the Gas-Phase Reactions of Iodine Atoms (2P3/2) with H2, H2O, HI, and OH

2010 ◽  
Vol 114 (34) ◽  
pp. 9270-9288 ◽  
Author(s):  
Sébastien Canneaux ◽  
Bertrand Xerri ◽  
Florent Louis ◽  
Laurent Cantrel
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Gas Phase Reactions

A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase

2001 ◽  
Vol 105 (10) ◽  
pp. 1869-1875 ◽  
Author(s):  
Gabriel Chuchani ◽  
Alexandra Rotinov ◽  
Juan Andrés ◽  
Luís R. Domingo ◽  
V. Sixte Safont
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Unimolecular Decomposition ◽  
Kinetics Of
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