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

Where is the Hidden Intramolecular H-bonding Vibrational Signal in Proline?

17 August 2023, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The frequency of the hydrogen bonded O-H stretch vibration in proline has sparked controversy. Employing constrained nuclear electronic orbital methods developed by our group, we provide a clear assignment that the vibrational frequency drops to near 3000 cm-1 as a result of the strong hydrogen bond with significant nuclear quantum effects in proline.

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

Aug 17, 2023 Version 1

Metrics

543
277
1
Views
Downloads

License

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

DOI

10.26434/chemrxiv-2023-tp95r
D O I: 10.26434/chemrxiv-2023-tp95r [opens in a new tab]

Funding

National Science Foundation
2238473

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

Share