Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 21, Issue 28, Pages 9975-9979Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201500798
Keywords
ab initio calculations; chemiluminescence; conical intersections; luminols; steric gearing
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Funding
- Spanish MICINN/FEDER [CTQ2014-59650-P]
- EU [PIEF-GA-2013-625064]
- Humboldt Foundation of the DFG
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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).
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