Exciplex or excited complex emission is an excited state process, arising from considerable charge transfer of an excited energy donor to an acceptor, which can be identified by the occurrence of a redshifted emission band that is absent in the individual constituents. Particularly interesting are exciplexes that are formed by intramolecular excited state interaction, which are inherently concentration independent. Based upon our previous experience in the Ugi-4CR syntheses of donor-acceptor conjugates capable of photo-induced intramolecular electron transfer (PIET), that is, generation of light-induced charge separation, we now disclose the diversity-oriented approach on unimolecular exciplex emitters and their reference systems by Ugi-4CR. The photophysics is studied by absorption and emission spectroscopy and accompanied by density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6838752 | PMC |
http://dx.doi.org/10.3389/fchem.2019.00717 | DOI Listing |
J Phys Chem A
January 2025
College of Science and Engineering, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia.
We report the results of a study of the interaction between torsion and the low frequency out-of-plane silyl wag vibration in the ground, S, and excited, S, electronic states of phenylsilane. These studies follow the observation of interactions between methyl torsion and the out-of-plane methyl wagging vibration in toluene, several fluoro-substituted toluenes and -methylpyrrole. The interaction leads to various spectroscopic constants becoming divorced from their usual physical meaning.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States.
Hybrid quantum-classical computing algorithms offer significant potential for accelerating the calculation of the electronic structure of strongly correlated molecules. In this work, we present the first quantum simulation of conical intersections (CIs) in a biomolecule, cytosine, using a superconducting quantum computer. We apply the contracted quantum eigensolver (CQE)─with comparisons to conventional variational quantum deflation (VQD)─to compute the near-degenerate ground and excited states associated with the conical intersection, a key feature governing the photostability of DNA and RNA.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
College of Physics, Liaoning University, Shenyang 110036, China.
Based on the DCV-C system of fullerene acceptor organic solar cell active materials, the charge transfer process of D-A type molecular materials under the action of an external electric field () was explored. Within the range of electric field application, the excited state characteristics exhibit certain regular changes. Based on reducing the excitation energy, the excitation mode shows a trend of developing toward low excited states.
View Article and Find Full Text PDFAm J Physiol Gastrointest Liver Physiol
January 2025
Digestive Diseases, Emory University, Atlanta, GA, United States.
The interplay between diet-induced obesity and gastrointestinal dysfunction is an evolving area of research with far-reaching implications for understanding the gutbrain axis interactions. In their study, Ramírez-Maldonado et al. employ a cafeteria (CAF) diet model to investigate the effects on gut microbiota, enteric nervous system (ENS) integrity and function, and gastrointestinal motility in mice.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904, United States.
Vanadium oxide (VO) is an exotic phase-change material with diverse applications ranging from thermochromic smart windows to thermal sensors, neuromorphic computing, and tunable metasurfaces. Nonetheless, the mechanism responsible for its metal-insulator phase transition remains a subject of vigorous debate. Here, we investigate the ultrafast dynamics of the photoinduced phase transition in VO under low perturbation conditions.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!