ULTRAFAST SPECTROSCOPIC AND AB INITIO COMPUTATIONAL INVESTIGATIONS ON SOLVATIONDYNAMICS OF NEUTRAL AND DEPROTONATED TYROSINE.

Fujiwara, Takashige

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https://hdl.handle.net/2142/79392 Copy

Description

Title

ULTRAFAST SPECTROSCOPIC AND AB INITIO COMPUTATIONAL INVESTIGATIONS ON SOLVATIONDYNAMICS OF NEUTRAL AND DEPROTONATED TYROSINE.

Author(s)

Fujiwara, Takashige

Contributor(s)

Zgierski, Marek Z.

Issue Date

23-Jun-15

Keyword(s)

Dynamics/Kinetics/Ultrafast

Abstract

We have studied one of the aromatic amino acids, tyrosine, regarding its photophysical properties in various solvent conditions by using a femtosecond fluorescence up-conversion technique and high-level TDDFT and CC2 computations. In this talk, profound details not only on ultrafast solvation dynamics on a neutral tyrosine in various solvents, but also on the excited-state dynamics for a single- (or doubly-) deprotonated tyrosine under various pH solutions will be presented. In high basicity, a tyrosine shows different absorption/emission spectra, and a total spectrum consists of a combination of these individual spectra that depend on the pH of the solution. The time scale of acid--base equilibrium is essential in solvation dynamics; whereas the protonation is simply controlled by diffusion, the de-protonation is considered to be slow process such that acid--base equilibrium may not be reached in the short-lived excited state after photo-excitation. Experimental and computational approaches taken and insights obtained in this concerted work will be described.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79392

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