Photodissociation of protonated tryptamine and its supramolecular complex with 18-crown-6 ether: Dissociation times and channels, absorption spectra, and excited states calculations

Autor: Jean Ann Wyer, Umesh Kadhane, Anneli Ehlerding, Henning Zettergren, Bruno Lucas, Maj-Britt Suhr Kirketerp, J. A. Fayeton, S. Brøndsted Nielsen, Christophe Jouvet, M. Pérot, Michel Barat
Rok vydání: 2009
Předmět:
Zdroj: Kadhane, U, Pérot, M, Lucas, B, Barat, M, Fayeton, J A, Jouvet, C, Ehlerding, A, Kirketerp, M-B S, Nielsen, S B, Wyer, J & Zettergren, H 2009, ' Photodissociation of protonated tryptamine and its supramolecular complex with 18-crown-6 ether: Dissociation times and channels, absorption spectra, and excited states calculations ', Chemical Physics Letters, vol. 480, no. 1-3, pp. 57-61 . https://doi.org/10.1016/j.cplett.2009.08.064
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2009.08.064
Popis: Photodissociation of the complex between protonated tryptamine, TryH + , and 18-crown-6 ether (CE) was investigated. Absorption maxima of TryH + and TryH + (CE) are at 249 and 273 nm, respectively. Ions decay exponentially on a microsecond timescale, and mass spectra reveal that NH 3 loss is an important channel even though CE targets this group. TD-DFT calculations identified an electronically excited state, where the photoactive electron is located in an antibonding orbital between C and NH 3 . Dissociation along this coordinate and CE rearrangement to the new charge site accounts for ammonia loss. Photodissociation in an electric field and time-of-flight measurements corroborate such a non-statistical bond-breakage.
Databáze: OpenAIRE
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