Cambridge Open Engage home
What is Cambridge Open Engage?
How to Submit
Browse
About
News [opens in a new tab]

Experimental and Computational Evidence of non-MEP Pathways in the Fragmentation and Rearrangement of Bicyclo[3.3.1] heptane Diazonium Ions

24 February 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The non-minimum energy pathways on the fragmentation of bicyclic diazoniumions and subsequent carbocationic rearrangements has been studied by a combination of computational chemistry (MD simulations, IRC, stationary point analysis) and experiments (TR-IR and UV from ps to µs, NMR kinetics).

Keywords

non-MEP, TRIR, TRUV, MD, IRC,carbocations

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.

Version History

Feb 24, 2021 Version 1

Version Notes

Version 1 uploaded

Metrics

991
317
0
Views
Downloads
Citations

License

CC logo
CC
BY logo
BY
NC logo
NC
ND logo
ND
The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14095649.v1
D O I: 10.26434/chemrxiv.14095649.v1 [opens in a new tab]

Funding

DFG funded via an Emmy-Noether stipend RE3630/1

Author’s competing interest statement

No conflict of interest to be declared.

Share