Towards excited state dynamics in nucleosides
Lead Research Organisation:
Heriot-Watt University
Department Name: Sch of Engineering and Physical Science
Abstract
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Organisations
People |
ORCID iD |
| Martin Paterson (Principal Investigator) |
Publications
Baker LA
(2016)
Ultrafast photoprotective properties of the sunscreening agent octocrylene.
in Optics express
Chatterley AS
(2013)
Manipulating dynamics with chemical structure: probing vibrationally-enhanced tunnelling in photoexcited catechol.
in Physical chemistry chemical physics : PCCP
Greenough SE
(2014)
Ultrafast photo-induced ligand solvolysis of cis-[Ru(bipyridine)2(nicotinamide)2](2+): experimental and theoretical insight into its photoactivation mechanism.
in Physical chemistry chemical physics : PCCP
Greenough SE
(2016)
Excited-State Dynamics of a Two-Photon-Activatable Ruthenium Prodrug.
in Chemphyschem : a European journal of chemical physics and physical chemistry
Pitto-Barry A
(2017)
Controlled fabrication of osmium nanocrystals by electron, laser and microwave irradiation and characterisation by microfocus X-ray absorption spectroscopy.
in Chemical communications (Cambridge, England)
Roberts G
(2013)
Exploring quantum phenomena and vibrational control in s* mediated photochemistry
in Chem. Sci.
Roberts G
(2012)
Comparing the ultraviolet photostability of azole chromophores
in Chemical Science
Roberts GM
(2012)
Unraveling ultrafast dynamics in photoexcited aniline.
in Journal of the American Chemical Society
Young JD
(2015)
Torsional Motion of the Chromophore Catechol following the Absorption of Ultraviolet Light.
in Physical review letters
Young JD
(2014)
Relaxation dynamics of photoexcited resorcinol: internal conversion versus H atom tunnelling.
in Physical chemistry chemical physics : PCCP
| Description | The computational results on this grant have helped to rationalise the key experimental findings on the related joint award to Dr Stavros at Warwick. Our high-level results have shown the nature of electronic states that are populated by UV excitation of fundamental heteroaromatic chromophores, how the energy is redistributed to vibrations via non-adiabatic conical intersections, and how certain vibrations dominate and control the observed photochemistry. |
| Exploitation Route | A large number of workers are investigating the photochemistry in fundamental natural chromophores. They are interested in the mechanism by which these molecules redistribute the absorbed energy to an environmental background, enabling tremendous photostability. Other workers have devised and applied new experimental techniques to further understand these and other (related) systems to those studied by us. Other researchers have also applied similar computational protocols to related systems following on from our work. |
| Sectors | Chemicals,Healthcare,Pharmaceuticals and Medical Biotechnology |
| Description | Dynamical Chemical Processes |
| Amount | £1,277,251 (GBP) |
| Funding ID | EP/P001459/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 08/2016 |
| End | 08/2021 |
| Description | Novel Non-linear Optical-Fibre Sources for Time-resolved Molecular Dynamics: Towards the Next Generation of Ultrafast Spectroscopy |
| Amount | £588,863 (GBP) |
| Funding ID | EP/R030448/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 04/2018 |
| End | 10/2021 |
| Title | Data associated with 'Ultrafast Photodissociation Dynamics of 2-Ethylpyrrole: Adding Insight to Experiment With Ab Initio Multiple Cloning.' |
| Description | Ab initio multiple cloning calculated and experimental total kinetic energy release spectra, dissociation times, velocity map images and electronic state populations for the ultrafast photodissociation of 2-ethylpyrrole. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2019 |
| Provided To Others? | Yes |