Advertisement

Topics

Molecular Dynamics of Excited State Intramolecular Charge Transfer in Solution by Coherent Nuclear Wave Packets.

08:00 EDT 11th April 2019 | BioPortfolio

Summary of "Molecular Dynamics of Excited State Intramolecular Charge Transfer in Solution by Coherent Nuclear Wave Packets."

Revealing a proper reaction coordinate in a chemical reaction is the key step towards elucidation of the molecular reaction dynamics. In this report, we investigated dynamics of intramolecular charge transfer (ICT) of 8-aminopyrene-1,3,6-trisulfonic acid (APTS) occurring in the excited state by time-resolved fluorescence (TF) and TF spectra. Accurate reaction rates and rate-dependent nuclear wave packets in the product state allow detailed investigation of the molecular reaction dynamics. The ICT rate is solvent dependent; (34 fs)-1, (87 fs)-1, and (∞)-1 in water, formamide, and dimethylformamide, respectively. By recording spectra of the nuclear wave packets for different reaction rate, chemical species responsible for the emission spectra can be positively identified. Origin of the wave packets can be deduced from the amplitude change of the wave packets at different reaction rates, and the vibrational modes that are associated with the reaction coordinate could be identified. Theoretical calculations of the vibrational reorganization energies reproduce the experimental spectrum of the nuclear wave packets and corroborates the conclusions.

Affiliation

Journal Details

This article was published in the following journal.

Name: Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Pages:

Links

DeepDyve research library

PubMed Articles [23126 Associated PubMed Articles listed on BioPortfolio]

Theoretical study on excited-state intramolecular proton transfer process of cyanide group substituted 2-(2-hydroxyphenyl)benzothiazole.

In this work, the influence of cyanide group substituted on the excited-state intramolecular proton transfer of 2-(2-hydroxyphenyl)benzothiazole (HBT) has been theoretical studied. It is found that th...

Ultrafast Excited-State Dynamics of Ligand-Field and Ligand-to-Metal Charge Transfer States of CuCl in Solution: A Detailed Transient Absorption Study.

Ultrafast excited-state dynamics of CuCl in acetonitrile is studied by femtosecond broadband transient absorption spectroscopy following excitation of the complex into all ligand field (LF, or d-d) st...

Solvent-Modulated Charge-Transfer Resonance Enhancement in the Excimer State of a Bay-Substituted Perylene Bisimide Cyclophane.

Excimer, a configurational mixing between Frenkel exciton and charge transfer resonance states, is typically regarded as a trap state that hinders desired energy or charge transfer processes in artifi...

Excited state intramolecular single proton transfer mechanism of pigment yellow 101 in solid state: Experiment and DFT calculation.

To investigate fluorescence mechanism of Pigment Yellow 101 (P. Y. 101) in solid state, three aromatic aldehyde azines (1-3) including P. Y. 101 have been synthesized and compared with each other. Res...

Photoexcitation Induced Twisted Intramolecular Charge Shuttle (TICS).

Charge transfer and separation are important processes governing numerous chemical reactions. Fundamental understanding of these processes and the underlying mechanism is critical for photochemistry. ...

Clinical Trials [6168 Associated Clinical Trials listed on BioPortfolio]

Chemotherapy, Host Response and Molecular Dynamics in Periampullary Cancer

The CHAMP (Chemotherapy, Host response And Molecular dynamics in Periampullary cancer) study is a prospective, single-arm observational study that started Sept 1 2018. Patients diagnosed w...

Clinical and Molecular Study of CHARGE Syndrom

1. Clinical description of a French cohort of patients with CHARGE syndrome. 2. Search any phenotype-genotype correlation in typical, atypical or incomplete form of the syndrome ...

Pregnancy Outcome of Women Using Low Molecular Weight Heparin Before Frozen-thawed Embryo Transfer

Embryo freezing is a technique used commonly to optimize the pregnancy rate in assisted reproduction techniques (ART). Hormone replacement therapy (HRT) regimen is applied to prepare endom...

Weight Adjusted Low Molecular Weight Heparin in Recurrent Implantation Failure: a Randomized Open Labeled Trial

Prospective randomized study of patients with infertility candidates to Assisted ReproductiveTechniques (ART), screened for all inclusion and exclusion criteria, submitted to ART cycle wit...

Does the Embryo Transfer Technique Affect the Success of in Vitro Fertilization?

Prospective, open, randomized, parallel, two-arm trial to compare the clinical pregnancy rate between most commonly used two embryo transfer techniques: trial followed by transfer techniqu...

Medical and Biotech [MESH] Definitions

An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages.

An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.

A 3.5 per cent colloidal solution containing urea-cross-linked polymerized peptides. It has a molecular weight of approximately 35,000 and is prepared from gelatin and electrolytes. The polymeric solution is used as a plasma expander.

Enzymes of the isomerase class that catalyze the transfer of acyl-, phospho-, amino- or other groups from one position within a molecule to another. EC 5.4.

Emission of LIGHT when ELECTRONS return to the electronic ground state from an excited state and lose the energy as PHOTONS. It is sometimes called cool light in contrast to INCANDESCENCE. LUMINESCENT MEASUREMENTS take advantage of this type of light emitted from LUMINESCENT AGENTS.

Advertisement
Quick Search
Advertisement
Advertisement

 


DeepDyve research library

Searches Linking to this Article