TY - JOUR
T1 - Excited state features and dynamics in a distyrylbenzene-based mixed stack donor-acceptor cocrystal with luminescent charge transfer characteristics
AU - Wykes, M.
AU - Park, S.K.
AU - Bhattacharyya, S.
AU - Varghese, Shinto
AU - Kwon, J.E.
AU - Whang, D.R.
AU - Cho, I.
AU - Wannemacher, R.
AU - Lüer, L.
AU - Park, S.Y.
AU - Gierschner, J.
N1 - This work was supported by the National Research Foundation of Korea (NRF) through a grant funded by the Korean Government (MSIP; No. 2009-0081571). M.W. thanks the European Commission for his Marie Curie Fellowship (FP7-PEOPLE-2012-IEF-331795). L.L. acknowledges a Ramón y Cajal fellowship of the MINECO (2010–2015). S.B., S.V., and L.L. acknowledge funding from the EC via the COFUND program AMAROUT.
PY - 2015/9/17
Y1 - 2015/9/17
N2 - Combined structural, photophysical, and quantum-chemical studies at the quantum mechanics/molecular mechanics (QM/MM) level precisely reveal the structure-property relationships in a mixed-stack donor-acceptor cocrystal, which displays vibronically structured fluorescence, strongly red-shifted against the spectra of the parent donor and acceptor, with high quantum yield despite the pronounced CT character of the emitting state. The study elucidates the reasons for this unusual combination, quantifies the ordering and nature of the collective excited singlet and triplet state manifold, and details the deactivation pathways of the initially created Franck-Condon state.
AB - Combined structural, photophysical, and quantum-chemical studies at the quantum mechanics/molecular mechanics (QM/MM) level precisely reveal the structure-property relationships in a mixed-stack donor-acceptor cocrystal, which displays vibronically structured fluorescence, strongly red-shifted against the spectra of the parent donor and acceptor, with high quantum yield despite the pronounced CT character of the emitting state. The study elucidates the reasons for this unusual combination, quantifies the ordering and nature of the collective excited singlet and triplet state manifold, and details the deactivation pathways of the initially created Franck-Condon state.
KW - Organic semiconductors
KW - Optoelectronics
KW - Luminescent cocrystal
KW - Charge transfer
KW - Photophysics
UR - http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01613
UR - https://www.scopus.com/pages/publications/84941768167
U2 - 10.1021/acs.jpclett.5b01613
DO - 10.1021/acs.jpclett.5b01613
M3 - Article
AN - SCOPUS:84941768167
SN - 1948-7185
VL - 6
SP - 3682
EP - 3687
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 18
ER -