2021
DOI: 10.1039/d1sc02826j
|View full text |Cite
|
Sign up to set email alerts
|

Bifurcating reactions: distribution of products from energy distribution in a shared reactive mode

Abstract: Bifurcating reactions yield two different products emerging from one single transition state and are therefore archetypal examples of reactions that cannot be described within the framework of the traditional Eyring’s...

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

0
18
0

Year Published

2021
2021
2024
2024

Publication Types

Select...
6
1

Relationship

0
7

Authors

Journals

citations
Cited by 14 publications
(18 citation statements)
references
References 68 publications
(105 reference statements)
0
18
0
Order By: Relevance
“…Notably, different physical factors that mediate the PTSB selectivity have been proposed, including transition structure geometries, 10,36,44 transition state momentum distribution, 2,8,9 the shape of potential energy surface, 24 and kinetic energy distribution. 45 In the NgnD-catalyzed ambimodal [6+4]/[4+2] reaction, we examined the influence of the TS geometries on the selectivity. A regression model has been developed to describe the quantitative relationship between TS forming bond lengths and product ratio.…”
Section: ■ Results and Discussionmentioning
confidence: 99%
See 1 more Smart Citation
“…Notably, different physical factors that mediate the PTSB selectivity have been proposed, including transition structure geometries, 10,36,44 transition state momentum distribution, 2,8,9 the shape of potential energy surface, 24 and kinetic energy distribution. 45 In the NgnD-catalyzed ambimodal [6+4]/[4+2] reaction, we examined the influence of the TS geometries on the selectivity. A regression model has been developed to describe the quantitative relationship between TS forming bond lengths and product ratio.…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…The ratio of [6+4]- to [4+2]-adduct is 3.1 in the gas phase, 5.9 in water, and 0.9 in enzyme. Notably, different physical factors that mediate the PTSB selectivity have been proposed, including transition structure geometries, ,, transition state momentum distribution, ,, the shape of potential energy surface, and kinetic energy distribution . In the NgnD-catalyzed ambimodal [6+4]/[4+2] reaction, we examined the influence of the TS geometries on the selectivity.…”
Section: Resultsmentioning
confidence: 99%
“…How to cite this article: M. T. Tremblay, Z. J. Yang, J Phys Org Chem 2022, 35 (11), e4322. https://doi.org/10.1002/poc.4322…”
Section: Supporting Informationmentioning
confidence: 99%
“…Enabled by QCT simulations, previous studies have explored the relationship between various physical factors and the resulting ratio of products or the timing of bond formation. These factors include transition structure geometries, [ 3d,9 ] transition state momentum distribution, [ 1c,3c,10 ] kinetic energy distribution, [ 11 ] and condensed‐media environment (e.g., solvent or enzyme). [ 6b,12 ] In particular, Carpenter has made ground‐breaking contributions to elucidate how transition state momenta mediate bifurcation outcomes, which is known as the “dynamic matching” effect.…”
Section: Introductionmentioning
confidence: 99%
“…Enabled by QCT simulations, previous studies have explored the relationship between various physical factors and the resulting ratio of products or the timing of bond formation. These factors include transition structure geometries, 9,21,22 transition state momentum distribution, 3,8,23 kinetic energy distribution, 24 and condensed-media environment (e.g., solvent or enzyme) 13,[25][26][27] . In particular, Carpenter has made ground-breaking contribution to elucidate how transition state momentum mediate bifurcation outcome, which is known as "dynamic matching" effect.…”
Section: Toc Graphics Introductionmentioning
confidence: 99%