Ultrafast Excited-State Dynamics of a Cyano-Substituted "Proton Sponge".

Autor: Balkowski G; Van't Hoff Institute for Molecular Sciences, University of Amsterdam , P.O. Box 94157, Science Park 904, 1098 XH Amsterdam, The Netherlands., Szemik-Hojniak A; Faculty of Chemistry, University of Wroclaw , 14 Joliot-Curie Str., 50-383 Wroclaw, Poland., Buma WJ; Van't Hoff Institute for Molecular Sciences, University of Amsterdam , P.O. Box 94157, Science Park 904, 1098 XH Amsterdam, The Netherlands., Zhang H; Van't Hoff Institute for Molecular Sciences, University of Amsterdam , P.O. Box 94157, Science Park 904, 1098 XH Amsterdam, The Netherlands., Deperasińska I; Institute of Physics, Polish Academy of Sciences , Al. Lotników 32/46, 02-668 Warsaw, Poland., Poisson L, Mestdagh JM, Piani G, Oberda K; Faculty of Chemistry, University of Wroclaw , 14 Joliot-Curie Str., 50-383 Wroclaw, Poland.
Jazyk: angličtina
Zdroj: The journal of physical chemistry. A [J Phys Chem A] 2015 Nov 19; Vol. 119 (46), pp. 11233-40. Date of Electronic Publication: 2015 Nov 10.
DOI: 10.1021/acs.jpca.5b06631
Abstrakt: The dynamics of a substituted proton sponge-the 1,8-bis(dimethylamino)-4-cyanonaphthalene (DMAN-CN) molecule-was investigated after excitation in the S1 state. Experimental and theoretical information are reported. The former includes absorption, fluorescence, and time-resolved transient absorption spectra, which were recorded in solution. Real-time dynamics measurements were also performed on gas-phase isolated DMAN-CN. TD DFT/6-31G(d,p) level and CIS/6-31G(d,p) excited-state calculations complement these results. This has allowed revisiting the energy transfer process between a locally excited (LE) and a charge transfer (CT) state, which is often invoked with this kind of molecule.
Databáze: MEDLINE