Work

A core–shell spectroscopic perspective on solution phase charge transfer in photoexcited push–pull chromophores

Year: 2026

Type: article

Abstract: quantum chemical simulations, provides quantitative insight into how changes in frontier molecular orbital interactions determine the charge-transfer properties of the molecule. Exploiting the element-specific sensitivity of XAS, we characterize the electronic structures of the locally excited and charge-transfer states within the first singlet excited-state manifold and, in addition, unambiguously identify the early-time population of a triplet state. Our results suggest a common underlying mechanism governing the charge redistribution and population dynamics of the excited electronic states in DMABN, with implications for controlling the photophysical properties of push-pull chromophores in charge-transfer applications.

Source: Chemical Science

DOI: 10.1039/d6sc06430b

Authors: Mate Kurucz, Marc-Oliver Winghart, Debkumar Rana, Victoria Kabanova, Jibrael Rolston, Martha Yaghoubi Jouybari, Mattis Fondell, Sebastian Eckert, Philippe Wernet, Albert Stolow, Arnaud Rouzée, Michael S. Schuurman, Erik T. J. Nibbering

Institutions: Max-Born-Institute for Nonlinear Optics and Short Pulse Spectroscopy, Uppsala University, University of Ottawa, Helmholtz-Zentrum Berlin für Materialien und Energie, National Research Council Canada

Language: English

Topic: Photochemistry and Electron Transfer Studies

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funders: Vetenskapsrådet, Helmholtz-Zentrum Berlin für Materialien und Energie, Natural Sciences and Engineering Research Council of Canada, Leibniz-Gemeinschaft, HORIZON EUROPE European Research Council

OpenAlex ID: W7222184270

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Cites: 40

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Related to: 10