Here you will find all scientific publications from the group leader, Daniel Horke. Articles and materials written for a more general audience can be found on the Outreach pages. Recent posters from the group are in the gallery!
Filter Publications:
2015
Horke D A, Chatterley A S, Bull J N, Verlet J R R
Time-Resolved Photodetachment Anisotropy: Gas-Phase Rotational and Vibrational Dynamics of the Fluorescein Anion Journal Article
In: J. Phys. Chem. Lett., vol. 6, no. 1, pp. 189–194, 2015.
Abstract | Links | BibTeX | Altmetric | Tags: alignment, Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging
@article{Horke:J.Phys.Chem.Lett.6:189,
title = {Time-Resolved Photodetachment Anisotropy: Gas-Phase Rotational and Vibrational Dynamics of the Fluorescein Anion},
author = {Daniel A Horke and Adam S Chatterley and James N Bull and Jan R R Verlet},
url = {http://pubs.acs.org/doi/abs/10.1021/jz5022526},
doi = {10.1021/jz5022526},
year = {2015},
date = {2015-01-01},
journal = {J. Phys. Chem. Lett.},
volume = {6},
number = {1},
pages = {189--194},
abstract = {The photoelectron signal of the singly deprotonated fluorescein anion is found to be highly dependent on the relative polarization between pump and probe pulses, and time-resolved photodetachment anisotropy (TR-PA) is developed as a probe of the rotational dynamics of the chromophore. The total photoelectron signal shows both rotational and vibrational wavepacket dynamics, and we demonstrate how TR-PA can readily disentangle these dynamical processes. TR-PA in fluorescein presents specific opportunities for its development as a probe for rotational dynamics in large biomolecules as fluorescein derivatives are commonly incorporated in complex biomolecules and have been used extensively in time-resolved fluorescence anisotropy measurements, to which TR-PA is a gas-phase analogue.},
keywords = {alignment, Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
2014
Chatterley A S, Horke D A, Verlet J R R
Effects of Resonant Excitation, Pulse Duration and Intensity on Photoelectron Imaging of a Dianion Journal Article
In: Phys. Chem. Chem. Phys., vol. 16, no. 2, pp. 489–496, 2014.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging
@article{Chatterley:Phys.Chem.Chem.Phys.16:489,
title = {Effects of Resonant Excitation, Pulse Duration and Intensity on Photoelectron Imaging of a Dianion},
author = {Adam S Chatterley and Daniel A Horke and Jan R R Verlet},
url = {http://xlink.rsc.org/?DOI=c3cp53235f},
doi = {10.1039/c3cp53235f},
year = {2014},
date = {2014-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {16},
number = {2},
pages = {489--496},
abstract = {The photoelectron imaging of the indigo carmine dianion is used to demonstrate the effects of resonance excitation, pulse duration and pulse intensity on the photoelectron spectra and angular distributions of a dianion. Excitation of the S1 state leads to an aligned distribution of excited state dianions. The photoelectron angular distribution following subsequent photodetachment within a femtosecond laser pulse is primarily determined by the repulsive Coulomb barrier. Extending the timescale for photodetachment to nanoseconds leads to dramatic changes in both the spectral and angular distributions. These observations are explained in terms of statistical detachment of electrons, either from the monoanion, or from the ground state of the dianion following a number of photon cycles through the S1 $\leftarrow$ S0 transition. At high intensity, new electron emission channels open up, leading to emission below the repulsive Coulomb barrier. This has been assigned to strong-field induced detachment and the effect of an electric field on the Coulomb barrier is discussed in terms of the photoelectron spectra and angular distributions.},
keywords = {Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
Verlet J R R, Horke D A, Chatterley A S
Excited States of Multiply-Charged Anions Probed by Photoelectron Imaging: Riding the Repulsive Coulomb Barrier Journal Article
In: Phys. Chem. Chem. Phys., vol. 16, no. 29, pp. 15043–15052, 2014.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, review
@article{Verlet:Phys.Chem.Chem.Phys.16:15043,
title = {Excited States of Multiply-Charged Anions Probed by Photoelectron Imaging: Riding the Repulsive Coulomb Barrier},
author = {Jan R R Verlet and Daniel A Horke and Adam S Chatterley},
url = {http://xlink.rsc.org/?DOI=c4cp01667j},
doi = {10.1039/c4cp01667j},
year = {2014},
date = {2014-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {16},
number = {29},
pages = {15043--15052},
abstract = {Many properties of isolated multiply-charged anions (MCAs) are dictated by the strong intra-molecular Coulomb interactions that are present. The most striking property of MCAs is a long-range repulsive Coulomb barrier (RCB) that arises from the repulsive interaction between an electron and an anion which must be overcome to form a MCA. Excited states provide a route to probing this RCB and the focus of this Perspective is on recent photoelectron experiments, including angularly and temporally resolved, that have provided detailed physical insight into the RCB surfaces, their anisotropy, and their use to monitor molecular dynamics in real-time. An outlook provides some future prospects that studies on MCAs provide in terms of monitoring structural, charge-migration, and solvation dynamics.},
keywords = {Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, review},
pubstate = {published},
tppubtype = {article}
}
2013
Horke D A, Chatterley A S, Verlet J R R
Influence of the Repulsive Coulomb Barrier on Photoelectron Spectra and Angular Distributions in a Resonantly Excited Dianion Journal Article
In: J. Chem. Phys., vol. 139, no. 8, pp. 084302–10, 2013.
Links | BibTeX | Altmetric | Tags: Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging
@article{Horke:J.Chem.Phys.139:084302,
title = {Influence of the Repulsive Coulomb Barrier on Photoelectron Spectra and Angular Distributions in a Resonantly Excited Dianion},
author = {Daniel A Horke and Adam S Chatterley and Jan R R Verlet},
url = {http://dx.doi.org/10.1063/1.4818597},
doi = {10.1063/1.4818597},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Phys.},
volume = {139},
number = {8},
pages = {084302--10},
keywords = {Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
Mooney C R S, Horke D A, Chatterley A S, Simperler A, Fielding H H, Verlet J R R
Taking the Green Fluorescence out of the Protein: Dynamics of the Isolated GFP Chromophore Anion Journal Article
In: Chem. Sci., vol. 4, no. 3, pp. 921, 2013.
Links | BibTeX | Altmetric | Tags: Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging
@article{Mooney:Chem.Sci.4:921,
title = {Taking the Green Fluorescence out of the Protein: Dynamics of the Isolated GFP Chromophore Anion},
author = {Ciar\'{a}n R S Mooney and Daniel A Horke and Adam S Chatterley and Alexandra Simperler and Helen H Fielding and Jan R R Verlet},
url = {http://xlink.rsc.org/?DOI=c2sc21737f},
doi = {10.1039/c2sc21737f},
year = {2013},
date = {2013-01-01},
journal = {Chem. Sci.},
volume = {4},
number = {3},
pages = {921},
keywords = {Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
2012
Horke D A, Chatterley A S, Verlet J R R
Femtosecond Photoelectron Imaging of Aligned Polyanions: Probing Molecular Dynamics through the Electron–Anion Coulomb Repulsion Journal Article
In: J. Phys. Chem. Lett., vol. 3, no. 7, pp. 834–838, 2012, ISSN: 1948-7185.
Abstract | Links | BibTeX | Altmetric | Tags: alignment, Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging
@article{Horke:J.Phys.Chem.Lett.3:834,
title = {Femtosecond Photoelectron Imaging of Aligned Polyanions: Probing Molecular Dynamics through the Electron\textendashAnion Coulomb Repulsion},
author = {Daniel. A. Horke and Adam S. Chatterley and Jan R. R. Verlet},
url = {https://doi.org/10.1021/jz3000933},
doi = {10.1021/jz3000933},
issn = {1948-7185},
year = {2012},
date = {2012-04-01},
urldate = {2019-04-03},
journal = {J. Phys. Chem. Lett.},
volume = {3},
number = {7},
pages = {834--838},
abstract = {The first time-resolved photoelectron imaging study of a polyanion is presented. Using the alignment induced through resonance excitation, the photoelectron angular distributions can be qualitatively understood in terms of the position of localized excess charges on the molecular skeleton, which influence the photoemission dynamics. Pump\textendash probe experiments are used to demonstrate that the photoelectron angular distribution is also sensitive to molecular dynamics. This is shown here for the rotational dynamics of a polyanion, in which the photoelectron anisotropy tracks the rotational coherence as it dephases. The methodology can in principle be applied to general molecular dynamics in large polyanions, providing a new route to studying ultrafast structural dynamics in complex gas-phase systems.},
keywords = {alignment, Anion spectroscopy, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
Chatterley A S, Horke D A, Verlet J R R
On the Intrinsic Photophysics of Indigo: A Time-Resolved Photoelectron Spectroscopy Study of the Indigo Carmine Dianion Journal Article
In: Phys. Chem. Chem. Phys., vol. 14, no. 46, pp. 16155, 2012.
Links | BibTeX | Altmetric | Tags: Anion spectroscopy, dynamics, Photoelectron spectroscopy, polyanions, velocity-map imaging
@article{Chatterley:Phys.Chem.Chem.Phys.14:16155,
title = {On the Intrinsic Photophysics of Indigo: A Time-Resolved Photoelectron Spectroscopy Study of the Indigo Carmine Dianion},
author = {Adam S Chatterley and Daniel A Horke and Jan R R Verlet},
url = {http://xlink.rsc.org/?DOI=c2cp43275g},
doi = {10.1039/c2cp43275g},
year = {2012},
date = {2012-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {14},
number = {46},
pages = {16155},
keywords = {Anion spectroscopy, dynamics, Photoelectron spectroscopy, polyanions, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
Horke D A, Verlet J R R
Photoelectron Spectroscopy of the Model GFP Chromophore Anion Journal Article
In: Phys. Chem. Chem. Phys., vol. 14, no. 24, pp. 8511–8515, 2012.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, Photoelectron spectroscopy
@article{Horke:Phys.Chem.Chem.Phys.14:8511,
title = {Photoelectron Spectroscopy of the Model GFP Chromophore Anion},
author = {Daniel A Horke and Jan R R Verlet},
url = {http://xlink.rsc.org/?DOI=c2cp40880e},
doi = {10.1039/c2cp40880e},
year = {2012},
date = {2012-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {14},
number = {24},
pages = {8511--8515},
abstract = {A photoelectron spectroscopy study of the anionic model chromophore of the green fluorescent protein is presented. From the photoelectron spectra taken at 3.496 eV, 4.62 eV, and 6.15 eV the vertical and adiabatic detachment energies are determined to be 2.8 +/- 0.1 eV and 2.6 +/- 0.2 eV, respectively. The vertical detachment energy is higher than the S1 ? S0 absorption maximum (2.57 eV) and indicates that the S1 state is bound with respect to electron detachment in the Franck-Condon region. The photoelectron spectrum taken at 6.15 eV, together with TD-DFT calculations, are used to assign a number of excited states in the neutral radical that correspond to electron loss from occupied orbitals in the anion. The photoelectron spectrum at 2.58 eV shows evidence for electrons formed by thermionic emission, suggesting that internal conversion is the dominant relaxation pathway following S1 ? S0 excitation.},
keywords = {Anion spectroscopy, Photoelectron spectroscopy},
pubstate = {published},
tppubtype = {article}
}
Horke D A
Femtosecond Photoelectron Imaging of Anions PhD Thesis
2012.
Links | BibTeX | Tags: alignment, Anion spectroscopy, experimental design, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging
@phdthesis{Horke:undefined:,
title = {Femtosecond Photoelectron Imaging of Anions},
author = {Daniel A Horke},
url = {http://etheses.dur.ac.uk/5950/},
year = {2012},
date = {2012-01-01},
address = {Durham},
keywords = {alignment, Anion spectroscopy, experimental design, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, polyanions, velocity-map imaging},
pubstate = {published},
tppubtype = {phdthesis}
}
2011
Horke D A, Roberts G M, Verlet J R R
Excited States in Electron-Transfer Reaction Products: Ultrafast Relaxation Dynamics of an Isolated Acceptor Radical Anion Journal Article
In: J. Phys. Chem. A, vol. 115, no. 30, pp. 8369–8374, 2011.
Links | BibTeX | Altmetric | Tags: Anion spectroscopy, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy
@article{Horke:J.Phys.Chem.A115:8369,
title = {Excited States in Electron-Transfer Reaction Products: Ultrafast Relaxation Dynamics of an Isolated Acceptor Radical Anion},
author = {Daniel A Horke and Gareth M Roberts and Jan R R Verlet},
url = {http://dx.doi.org/10.1021/jp2038202},
doi = {10.1021/jp2038202},
year = {2011},
date = {2011-01-01},
urldate = {2011-01-01},
journal = {J. Phys. Chem. A},
volume = {115},
number = {30},
pages = {8369--8374},
keywords = {Anion spectroscopy, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy},
pubstate = {published},
tppubtype = {article}
}
Horke D A, Verlet J R R
Time-Resolved Photoelectron Imaging of the Chloranil Radical Anion: Ultrafast Relaxation of Electronically Excited Electron Acceptor States Journal Article
In: Phys. Chem. Chem. Phys., vol. 13, no. 43, pp. 19546–19552, 2011.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging
@article{Horke:Phys.Chem.Chem.Phys.13:19546,
title = {Time-Resolved Photoelectron Imaging of the Chloranil Radical Anion: Ultrafast Relaxation of Electronically Excited Electron Acceptor States},
author = {Daniel A Horke and Jan R R Verlet},
url = {http://xlink.rsc.org/?DOI=c1cp22237f},
doi = {10.1039/c1cp22237f},
year = {2011},
date = {2011-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {13},
number = {43},
pages = {19546--19552},
abstract = {The spectroscopy and dynamics of near-threshold excited states of the isolated chloranil radical anion are investigated using photoelectron imaging. The photoelectron images taken at 480 nm clearly indicate resonance-enhanced photodetachment via a bound electronic excited state. Time-resolved photoelectron imaging reveals that the excited state rapidly decays on a timescale of 130 fs via internal conversion. The ultrafast relaxation dynamics of excited states near threshold are pertinent to common electron acceptor molecules based on the quinone moiety and may serve as doorway states that enable efficient electron transfer in the highly exergonic inverted regime, despite the presence of large free energy barriers.},
keywords = {Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
2010
Lecointre J, Roberts G M, Horke D A, Verlet J R R
Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions textdagger Journal Article
In: J. Phys. Chem. A, vol. 114, no. 42, pp. 11216–11224, 2010.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, experimental design, photoelectron imaging, velocity-map imaging
@article{Lecointre:J.Phys.Chem.A114:11216,
title = {Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions textdagger},
author = {Julien Lecointre and Gareth M Roberts and Daniel A Horke and Jan R R Verlet},
url = {http://pubs.acs.org/doi/abs/10.1021/jp1028855},
doi = {10.1021/jp1028855},
year = {2010},
date = {2010-10-01},
journal = {J. Phys. Chem. A},
volume = {114},
number = {42},
pages = {11216--11224},
abstract = {Time-resolved photoelectron imaging of the 7,7,8,8-tetracyanoquinodimethane (TCNQ) radical anion is presented. Photoelectron angular distributions (PADs) are qualitatively analyzed in terms of the simple s-p model that is based on symmetry arguments. The internal conversion dynamics from the first excited state (1(2)B(3u)) to the ground state ((2)B(2g)) may be observed through temporal changes in the PADs of the spectrally overlapping photoelectron features arising from photodetachment of the ground state and the excited state. A formulism for extracting the population dynamics from the $beta$(2) anisotropy parameter of overlapping spectroscopic features is presented. This is used to extract the lifetime of the first excited state, which is in good agreement with that observed in the time-resolved photoelectron spectra.},
keywords = {Anion spectroscopy, experimental design, photoelectron imaging, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}
Roberts G M, Lecointre J, Horke D A, Verlet J R R
Spectroscopy and Dynamics of the 7,7,8,8-Tetracyanoquinodimethane Radical Anion. Journal Article
In: Phys. Chem. Chem. Phys., vol. 12, no. 23, pp. 6226–6232, 2010.
Abstract | Links | BibTeX | Altmetric | Tags: Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging
@article{Roberts:Phys.Chem.Chem.Phys.12:6226,
title = {Spectroscopy and Dynamics of the 7,7,8,8-Tetracyanoquinodimethane Radical Anion.},
author = {Gareth M Roberts and Julien Lecointre and Daniel A Horke and Jan R R Verlet},
url = {http://dx.doi.org/10.1039/c001438a},
doi = {10.1039/c001438a},
year = {2010},
date = {2010-01-01},
journal = {Phys. Chem. Chem. Phys.},
volume = {12},
number = {23},
pages = {6226--6232},
abstract = {The photoelectron spectrum of the 7,7,8,8-tetracyanoquinodimethane (TCNQ) radical anion has been measured at 3.1 eV. Additionally, the ultrafast relaxation dynamics of the first excited state (1(2)B(3u)) of TCNQ(-) have been studied using time-resolved photoelectron spectroscopy, which reveals that it undergoes internal conversion back to the ground state ((2)B(2g)) with an associated lifetime of 650 fs and shows evidence of coherent nuclear motion. From Duplicate 1 ( Spectroscopy and dynamics of the 7,7,8,8-tetracyanoquinodimethane radical anion. - Roberts, Gareth M; Lecointre, Julien; Horke, Daniel a; Verlet, Jan R R ) From Duplicate 1 ( Spectroscopy and dynamics of the 7,7,8,8-tetracyanoquinodimethane radical anion. - Roberts, Gareth M; Lecointre, Julien; Horke, Daniel a; Verlet, Jan R R ) From Duplicate 1 ( Spectroscopy and dynamics of the 7,7,8,8-tetracyanoquinodimethane radical anion. - Roberts, Gareth M; Lecointre, Julien; Horke, Daniel a; Verlet, Jan R R ) From Duplicate 1 ( Spectroscopy and dynamics of the 7,7,8,8-tetracyanoquinodimethane radical anion. - Roberts, Gareth M; Lecointre, Julien; Horke, Daniel A; Verlet, Jan R R )},
keywords = {Anion spectroscopy, dynamics, Non-adiabatic dynamics, photoelectron imaging, Photoelectron spectroscopy, velocity-map imaging},
pubstate = {published},
tppubtype = {article}
}