| Literature DB >> 26041370 |
Axel G Griesbeck1, Yrene Díaz-Miara1, Robert Fichtler1, Axel Jacobi von Wangelin2, Raúl Pérez-Ruiz3, Diego Sampedro4.
Abstract
A surprising 20-fold increase in chemiluminescence efficiency was observed for dialkyl luminol derivatives in comparison with the parent compound. This effect could be a direct consequence of steric gearing which facilitates the transition from the intermediate endoperoxide to the electronically excited phthalate. Mechanistic aspects of this process have been supported by computational calculations (CASPT2//CASSCF).Entities:
Keywords: ab initio calculations; chemiluminescence; conical intersections; luminols; steric gearing
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Year: 2015 PMID: 26041370 DOI: 10.1002/chem.201500798
Source DB: PubMed Journal: Chemistry ISSN: 0947-6539 Impact factor: 5.236