title: Excited State Features and Dynamics in a Distyrylbenzene-Based Mixed Stack Donor-Acceptor Cocrystal with Luminescent Charge Transfer Characteristics.
abstract: 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.
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Michael
authors.initials: M
authors.lastname: Wykes
authors.affiliation: Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University , ENG 445, Seoul 151-744, Korea.
authors.forename: Sang Kyu
authors.initials: SK
authors.lastname: Park
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Santanu
authors.initials: S
authors.lastname: Bhattacharyya
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Shinto
authors.initials: S
authors.lastname: Varghese
authors.affiliation: Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University , ENG 445, Seoul 151-744, Korea.
authors.forename: Ji Eon
authors.initials: JE
authors.lastname: Kwon
authors.affiliation: Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University , ENG 445, Seoul 151-744, Korea.
authors.forename: Dong Ryeol
authors.initials: DR
authors.lastname: Whang
authors.affiliation: Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University , ENG 445, Seoul 151-744, Korea.
authors.forename: Ilhun
authors.initials: I
authors.lastname: Cho
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Reinhold
authors.initials: R
authors.lastname: Wannemacher
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Larry
authors.initials: L
authors.lastname: Lüer
authors.affiliation: Center for Supramolecular Optoelectronic Materials, Department of Materials Science and Engineering, Seoul National University , ENG 445, Seoul 151-744, Korea.
authors.forename: Soo Young
authors.initials: SY
authors.lastname: Park
authors.affiliation: Madrid Institute for Advanced Studies, IMDEA Nanoscience, C/Faraday 9, Campus Cantoblanco, 28049 Madrid, Spain.
authors.forename: Johannes
authors.initials: J
authors.lastname: Gierschner
keywords: charge transfer; luminescent cocrystal; optoelectronics; organic semiconductors; photophysics