scholarly journals Substituent Effects on the N–H Bond Dissociation Enthalpies, Ionization Energies, Acidities, and Radical Scavenging Behavior of 3,7-Disubstituted Phenoxazines and 3,7-Disubstituted Phenothiazines

ACS Omega ◽  
2020 ◽  
Vol 5 (42) ◽  
pp. 27572-27581
Author(s):  
Pham Thi Thu Thao ◽  
Binh Thuc Tran ◽  
Nguyen Minh Thong ◽  
Duong Tuan Quang ◽  
Nguyen Khoa Hien ◽  
...  
Keyword(s):  
Radical Scavenging ◽  
Substituent Effects ◽  
Ionization Energies ◽  
Bond Dissociation

Investigations into Laccase-Mediator Delignification of Kraft Pulps

Holzforschung ◽  
1999 ◽  
Vol 53 (5) ◽  
pp. 498-502 ◽  
Author(s):  
J. Sealey ◽  
A.J. Ragauskas ◽  
T.J. Elder
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Kraft Pulp ◽  
Substituent Effects ◽  
Computational Results ◽  
Kraft Pulps ◽  
Bond Dissociation ◽  
Structure Activity ◽  
Softwood Kraft Pulp

SummaryThe structure activity effects of 1-hydroxy benzotriazole and phthalimide derivatives as mediators for laccase were studied. Using a softwood kraft pulp it was shown that the N-hydroxy unit is a key component of 1-hydroxybenzotriazole for efficient laccase mediator delignification to occur. It was also found that the 1-hydroxybenzotriazole structure was very sensitive to substituent effects with respect to laccase-mediator delignification. Computational results from PM3 indicate that the bond dissociation energy, and electronic factors of the radical may contribute to the efficiency of the mediator for LMS delignification.

Bond dissociation energies in organometallic systems: substituent effects

2014 ◽  
Vol 27 (11) ◽  
pp. 850-859 ◽  
Author(s):  
Olga V. Kuznetsova ◽  
Alexey N. Egorochkin ◽  
Nadiya M. Khamaletdinova ◽  
Lada G. Domratcheva-Lvova
Keyword(s):  
Substituent Effects ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Organometallic Systems
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