textjournal article
2-Norbornyl Ion-Pair Leakage in Electrophilic Addition of HCl to Nortricyclene and Norbornene
Abstract
Ion pair “leakage” pathways, located computationally by means of multidimensional potential energy surface scans, rationalize the unsymmetrical D-label scrambling observed experimentally in the DCl addition products of nortricyclene and norbornene. “Classical” addition transition structures can interconvert (“leak”) to symmetrical nonclassical 2-norbornyl ion pair species, either TS’s or a minimum, before products form- Text
- Journal contribution
- Biophysics
- Biochemistry
- Evolutionary Biology
- Ecology
- Immunology
- Infectious Diseases
- Computational Biology
- Biological Sciences not elsewhere classified
- transition
- unsymmetrical
- energy surface scans
- Nortricyclene
- products form
- leakage
- computationally
- Norbornyl
- leak
- TS
- nortricyclene
- Ion
- pathway
- Norbornene
- norbornyl
- nonclassical
- norbornene
- Classical
- DCl addition products
- Electrophilic Addition
- species
- interconvert
- Leakage
- HCl
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Last time updated on 16/03/2018
This paper was published in The Francis Crick Institute.
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