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Title: Photoisomerization mechanism of iminoguanidinium receptors from spectroscopic methods and quantum chemical calculations

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/D4CP02747G · OSTI ID:2440070
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]
  1. Department of Chemistry, University of Michigan, Ann Arbor, MI 48109, USA
  2. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6119, USA
+ Show Author Affiliations

The multiconfigurational reaction path features a small barrier for a pyridine-appended iminoguanidinium photoswitch from the Franck–Condon geometry of the E isomer in the π–π* state to the ground state Z photoproduct via the conical intersection.

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC05-00OR22725; AC05-00OR22725
OSTI ID:
2440070
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 36 Vol. 26; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

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