Protio-tert-butyl Dication ((H3C)2C+CH4+): Hydrogen–Deuterium Exchange and Theoretical Study. The Role of Protoeolvation on Alkyl Cation Reactivity in Superacidic Solution

2003 ◽  
pp. 844-845
Author(s):  
George A. Olah ◽  
Nikolai Hartz ◽  
Golam Rasul ◽  
G. K. Surya Prakash
Keyword(s):  
Theoretical Study ◽  
Deuterium Exchange ◽  
Hydrogen Deuterium Exchange ◽  
Tert Butyl ◽  
Hydrogen Deuterium

Hydrogen–Deuterium Exchange in Basic Near-Critical and Supercritical Media: An Experimental and Theoretical Study

2020 ◽  
Vol 124 (13) ◽  
pp. 2530-2536
Author(s):  
Pia R. Alburquerque ◽  
B. Ramu Ramachandran ◽  
Thomas Junk ◽  
Tolga N. V. Karsili
Keyword(s):  
Theoretical Study ◽  
Deuterium Exchange ◽  
Hydrogen Deuterium Exchange ◽  
Hydrogen Deuterium

Mechanism of dihydride formation and hydrogen/deuterium exchange in a cationic iridium(III) complex

2009 ◽  
Vol 87 (10) ◽  
pp. 1362-1368 ◽  
Author(s):  
Luigi Cavallo ◽  
Steven P. Nolan ◽  
Heiko Jacobsen
Keyword(s):  
Deuterium Exchange ◽  
Hydrogen Deuterium Exchange ◽  
Tert Butyl ◽  
Hydrogen Deuterium

In this manuscript, we provide a theoretical rationalization of the mechanisms that control double H2 addition to an unsaturated 14 e cationic Ir(III) complex to yield a dihydride Ir(III) complex. Further, we also present two mechanisms that can explain the experimentally observed incorporation of deuterium into the tert-Butyl (tBu) groups of the N-heterocyclic ItBu ligands.

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