Infrared spectrum of the 1-cyanoadamantane cation: evidence of hydrogen transfer and cage-opening upon ionization-Reference-Cited by-同舟云学术

Infrared spectrum of the 1-cyanoadamantane cation: evidence of hydrogen transfer and cage-opening upon ionization

Published:2023 Issue:34 Volume:25 Page:22734-22743
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rubli Peter Theodore¹^ORCID,Dopfer Otto¹^ORCID

Affiliation:

1. Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany

Abstract

The analysis of the IR spectrum of N2-tagged AdCN+ using DFT calculations reveals that a substantial fraction of the ion population of AdCN+ undergoes cage-opening and intramolecular hydrogen transfer (HAT) upon electron ionization.

Funder

Deutsche Forschungsgemeinschaft

Erasmus+

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03417H

Reference72 articles.

1. Adamantane: Consequences of the Diamondoid Structure

2. Isolation and Structure of Higher Diamondoids, Nanometer-Sized Diamond Molecules

3. Monochromatic Electron Photoemission from Diamondoid Monolayers

4. Band gap tuning in nanodiamonds: first principle computational studies

5. Tuning the HOMO–LUMO Energy Gap of Small Diamondoids Using Inverse Molecular Design

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