Theoretical study on the photochemical CC bond cleavage reaction via acetophenone-type excited triplet state

1994 ◽  
Vol 35 (4) ◽  
pp. 587-590 ◽  
Author(s):  
Nobuyuki Ichinose ◽  
Kazuhiko Mizuno ◽  
Yoshio Otsuji ◽  
Hiroto Tachikawa
Keyword(s):  
Triplet State ◽  
Theoretical Study ◽  
Bond Cleavage ◽  
Excited Triplet State ◽  
Cleavage Reaction ◽  
Excited Triplet ◽  
Bond Cleavage Reaction

scholarly journals Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

2017 ◽  
Vol 231 (9) ◽  
Author(s):  
Daniel Nurkowski ◽  
Ahren W. Jasper ◽  
Jethro Akroyd ◽  
Markus Kraft
Keyword(s):  
Theoretical Study ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction ◽  
Kinetics Of

AbstractIn this work the kinetics of the TiCl

Nitro–Nitrite Isomerization and Transition State Switching in the Dissociation of Ionized Nitromethane: A Threshold Photoelectron–Photoion Coincidence Spectroscopy Study

2009 ◽  
Vol 15 (2) ◽  
pp. 157-166 ◽  
Author(s):  
Brandon Ferrier ◽  
Anne-Marie Boulanger ◽  
David M.P. Holland ◽  
David A. Shaw ◽  
Paul M. Mayer
Keyword(s):  
Transition State ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Nitrite Ion ◽  
Methyl Nitrite ◽  
Bond Cleavage Reaction ◽  
Entropy Of Activation ◽  
Lower Entropy

Threshold photoelectron–photoion coincidence (TPEPICO) spectroscopy has been employed to investigate the competition between bond cleavage and rearrangement reactions in the dissociation of ionized nitromethane, 1. Modeling TPEPICO breakdown diagrams with a combination of RRKM theory and ab initio calculations at the G3 level of theory allowed the derivation of the activation energy for the isomerisation of 1 to ionized methyl nitrite, 2, 82 kJ mol−1. In addition, evidence was found for a transition state switch in the bond cleavage reaction in 1 leading to CH3• + NO2+. As internal energy increases, the effective transition state for this reaction becomes tighter (i.e. is characterized by a lower entropy of activation, Δ‡S). Fitted thresholds for NO+ and CH2OHO+ ions, originating from the isomeric methyl nitrite ion, are consistent with G3 level ab initio calculations.

Aromaticity Reversal in the Lowest Excited Triplet State of Archetypical Möbius Heteroannulenic Systems

2016 ◽  
Vol 128 (22) ◽  
pp. 6597-6601 ◽  
Author(s):  
Juwon Oh ◽  
Young Mo Sung ◽  
Woojae Kim ◽  
Shigeki Mori ◽  
Atsuhiro Osuka ◽  
...  
Keyword(s):  
Triplet State ◽  
Excited Triplet State ◽  
Excited Triplet

scholarly journals TRANSIENT RAMAN SPECTRA OF ALL-TRANS- AND 9-CIS-RETINAL IN THE EXCITED TRIPLET STATE

1984 ◽  
Vol 13 (4) ◽  
pp. 549-550 ◽  
Author(s):  
Hiro-o Hamaguchi ◽  
Hiromi Okamoto ◽  
Mitsuo Tasumi
Keyword(s):  
Triplet State ◽  
Raman Spectra ◽  
Excited Triplet State ◽  
Excited Triplet

Biosynthesis of C11 and C16 homoterpenes in higher plants; stereochemistry of the CC-bond cleavage reaction

Tetrahedron ◽  
1998 ◽  
Vol 54 (49) ◽  
pp. 14725-14736 ◽  
Author(s):  
Wilhelm Boland ◽  
Andreas Gäbler ◽  
Matthias Gilbert ◽  
Zhuofu Feng
Keyword(s):  
Higher Plants ◽  
Bond Cleavage ◽  
Cleavage Reaction ◽  
Bond Cleavage Reaction
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