Excited-state proton-dissociation of N-alkylated anilinium ions in aqueous solution studied by picosecond fluorescence measurements

2002 ◽  
Vol 4 (14) ◽  
pp. 3376-3382 ◽  
Author(s):  
So Tajima ◽  
Satoru Shiobara ◽  
Haruo Shizuka ◽  
Seiji Tobita
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Fluorescence Measurements ◽  
Proton Dissociation

scholarly journals Minimal Optimized Effective Potentials for Density Functional Theory Studies on Excited-State Proton Dissociation

Micromachines ◽  
2021 ◽  
Vol 12 (6) ◽  
pp. 679
Author(s):  
Pouya Partovi-Azar ◽  
Daniel Sebastiani
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Photochemical Reactions ◽  
Transfer Energy ◽  
Functional Theory ◽  
Effective Potentials ◽  
Proton Dissociation ◽  
Dissociation Curves

Recently, a new method [P. Partovi-Azar and D. Sebastiani, J. Chem. Phys. 152, 064101 (2020)] was proposed to increase the efficiency of proton transfer energy calculations in density functional theory by using the T1 state with additional optimized effective potentials instead of calculations at S1. In this work, we focus on proton transfer from six prototypical photoacids to neighboring water molecules and show that the reference proton dissociation curves obtained at S1 states using time-dependent density functional theory can be reproduced with a reasonable accuracy by performing T1 calculations at density functional theory level with only one additional effective potential for the acidic hydrogens. We also find that the extra effective potentials for the acidic hydrogens neither change the nature of the T1 state nor the structural properties of solvent molecules upon transfer from the acids. The presented method is not only beneficial for theoretical studies on excited state proton transfer, but we believe that it would also be useful for studying other excited state photochemical reactions.

Multi-Pathway Excited State Relaxation of Adenine Oligomers in Aqueous Solution: A Joint Theoretical and Experimental Study

2013 ◽  
Vol 19 (11) ◽  
pp. 3762-3774 ◽  
Author(s):  
Akos Banyasz ◽  
Thomas Gustavsson ◽  
Delphine Onidas ◽  
Pascale Changenet-Barret ◽  
Dimitra Markovitsi ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Experimental Study ◽  
Excited State

Proton dissociation of azulenium cations in the excited state

1968 ◽  
Vol 90 (16) ◽  
pp. 4238-4242 ◽  
Author(s):  
K. H. Grellmann ◽  
E. Heilbronner ◽  
P. Seiler ◽  
A. Weller
Keyword(s):  
Excited State ◽  
Proton Dissociation

Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory

2015 ◽  
Vol 17 (47) ◽  
pp. 31978-31987 ◽  
Author(s):  
Franziska Buchner ◽  
Berit Heggen ◽  
Hans-Hermann Ritze ◽  
Walter Thiel ◽  
Andrea Lübcke
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Photoelectron Spectroscopy ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Spectroscopy Experiment

Time-resolved photoelectron spectroscopy is performed on aqueous guanosine solution to study its excited-state relaxation dynamics.

A water soluble ESIPT-based fluorescent chemodosimeter for the ratiometric detection of palladium ions in aqueous solution and its application in live-cell imaging

2018 ◽  
Vol 42 (19) ◽  
pp. 15587-15592 ◽  
Author(s):  
Jing Huang ◽  
Yu Ding ◽  
Hongyu Fu ◽  
Bo Chen ◽  
Yifeng Han
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Proton Transfer ◽  
Live Cell Imaging ◽  
Cell Imaging ◽  
Intramolecular Proton Transfer ◽  
Live Cell ◽  
Water Soluble ◽  
Ratiometric Detection ◽  
Fluorescent Chemodosimeter

A new Excited State Intramolecular Proton Transfer (ESIPT) based water-soluble fluorescent chemodosimeter for the ratiometric detection of palladium ions has been rationally designed and developed.

scholarly journals Development and Applications of Bioluminescent and Chemiluminescent Reporters and Biosensors

2019 ◽  
Vol 12 (1) ◽  
pp. 129-150 ◽  
Author(s):  
Hsien-Wei Yeh ◽  
Hui-Wang Ai
Keyword(s):  
Excited State ◽  
External Excitation ◽  
Excitation Light ◽  
Fluorescent Reporters ◽  
Fluorescence Measurements ◽  
Chemiluminescent Sensors ◽  
Biomedical Fields ◽  
Bioluminescent Reporters

Although fluorescent reporters and biosensors have become indispensable tools in biological and biomedical fields, fluorescence measurements require external excitation light, thereby limiting their use in thick tissues and live animals. Bioluminescent reporters and biosensors may potentially overcome this hurdle because they use enzyme-catalyzed exothermic biochemical reactions to generate excited-state emitters. This review first introduces the development of bioluminescent reporters, and next, their applications in sensing biological changes in vitro and in vivo as biosensors. Lastly, we discuss chemiluminescent sensors that produce photons in the absence of luciferases. This review aims to explore fundamentals and experimental insights and to emphasize the yet-to-be-reached potential of next-generation luminescent reporters and biosensors.

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