Some Comments on Valence Bond Representations for the Radical Exchange Reaction X•+ R:Y → X:R + Y•

2007 ◽  
Vol 111 (50) ◽  
pp. 13278-13282 ◽  
Author(s):  
Richard D. Harcourt ◽  
Karin Schaefer ◽  
Michelle L. Coote
Keyword(s):  
Exchange Reaction ◽  
Valence Bond

Valence‐bond study of the (H2, D2) exchange reaction mechanism

1973 ◽  
Vol 58 (3) ◽  
pp. 1202-1204 ◽  
Author(s):  
B. Freihaut ◽  
L. M. Raff
Keyword(s):  
Reaction Mechanism ◽  
Exchange Reaction ◽  
Valence Bond

An Accurate Barrier for the Hydrogen Exchange Reaction from Valence Bond Theory: Is this Theory Coming of Age?

2003 ◽  
Vol 9 (18) ◽  
pp. 4540-4547 ◽  
Author(s):  
Lingchun Song ◽  
Wei Wu ◽  
Philippe C. Hiberty ◽  
David Danovich ◽  
Sason Shaik
Keyword(s):  
Exchange Reaction ◽  
Hydrogen Exchange ◽  
Coming Of Age ◽  
Valence Bond ◽  
Valence Bond Theory ◽  
Bond Theory

Valence bond representation for the hydrogen atom exchange reaction

1993 ◽  
Vol 97 (47) ◽  
pp. 12210-12214 ◽  
Author(s):  
Richard D. Harcourt ◽  
Rickie Ng
Keyword(s):  
Hydrogen Atom ◽  
Exchange Reaction ◽  
Valence Bond

Pyridyl disulfide-based thiol–disulfide exchange reaction: shaping the design of redox-responsive polymeric materials

2020 ◽  
Vol 11 (48) ◽  
pp. 7603-7624
Author(s):  
Ismail Altinbasak ◽  
Mehmet Arslan ◽  
Rana Sanyal ◽  
Amitav Sanyal
Keyword(s):  
Exchange Reaction ◽  
Functional Materials ◽  
Polymeric Materials ◽  
Disulfide Exchange ◽  
Redox Responsive ◽  
Synthetic Approaches

This review provides an overview of synthetic approaches utilized to incorporate the thiol-reactive pyridyl-disulfide motif into various polymeric materials, and briefly highlights its utilization to obtain functional materials.

Resolving the Quadruple Bonding Conundrum in C2 Using Insights Derived from Excited State Potential Energy Surfaces: A Molecular Orbital Perspective

2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Molecular Orbital ◽  
High Spin ◽  
Potential Energy Surfaces ◽  
Valence Bond ◽  
Deep Minimum ◽  
State Potential ◽  
Energy Surfaces ◽  
Mo Theory

The question of quadruple bonding in C<sub>2</sub> has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C<sub>2</sub>, N<sub>2</sub> and Be<sub>2</sub> and HC≡CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the<sup> 2S+1</sup>Σ<sub>g/u</sub> (with 2S+1=1,3,5,7,9) states of C<sub>2</sub> and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N<sub>2</sub> and HC≡CH, the presence of a deep minimum in the <sup>7</sup>Σ state of C<sub>2</sub> and CN<sup>+</sup> suggest a latent quadruple bonding nature in these two dimers. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures.

Kekulé index for valence bond structures of conjugated systems containing cyclobutadiene

1978 ◽  
Vol 43 (5) ◽  
pp. 1375-1392 ◽  
Author(s):  
Ante Graovac ◽  
Ivan Gutman ◽  
Milan Randić ◽  
Nenad Trinajstić
Keyword(s):  
Valence Bond ◽  
Conjugated Systems

Photoassisted Production of O2-• and H2 in Aqueous Medium Stimulated by Polythiophene in ZSM-5 Zeolite Channels

1999 ◽  
Vol 64 (1) ◽  
pp. 149-156 ◽  
Author(s):  
Gabriel Čík ◽  
František Šeršeň ◽  
Alena Bumbálová
Keyword(s):  
Reactive Oxygen Species ◽  
Ion Exchange ◽  
Visible Light ◽  
Aqueous Medium ◽  
Exchange Reaction ◽  
Epr Spectroscopy ◽  
Reactive Oxygen ◽  
Oxygen Species ◽  
Water Reduction ◽  
Ion Exchange Reaction

The formation of reactive oxygen species due to irradiation by a visible light of the polythiophene deposited in ZSM-5 zeolite channels in aqueous medium has been studied. Polymerization of thiophene was carried out in zeolite channels after the ion-exchange reaction of Na+ for Fe3+. By means of EPR spectroscopy, the temporarily generated 1O2 in irradiated aqueous medium was proved. The formation of O2-• was confirmed by the reduction of Fe3+-cytochrome c. Irradiation led to the water reduction to hydrogen.

Sign in / Sign up

Export Citation Format

Share Document