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The role of the intermediate state in angle-resolved photoelectron studies using (2?+?1) resonance-enhanced multiphoton ionization of the chiral terpenes, ?-pinene and 3-carene (2020)
Journal Article
Ganjitabar, H., Singh, D. P., Chapman, R., Gardner, A., Minns, R. S., Powis, I., …Vredenborg, A. (2021). The role of the intermediate state in angle-resolved photoelectron studies using (2 + 1) resonance-enhanced multiphoton ionization of the chiral terpenes, α-pinene and 3-carene. Molecular Physics, 119(1-2), Article e1808907. https://doi.org/10.1080/00268976.2020.1808907

Photoelectron angular distributions (PADs), ranging up to the maximum 6th order Legendre polynomial term set by the Yang theorem, have been recorded for the (2?+?1) resonance enhanced multiphoton ionization (REMPI) of two terpene isomers, 3-carene an... Read More about The role of the intermediate state in angle-resolved photoelectron studies using (2?+?1) resonance-enhanced multiphoton ionization of the chiral terpenes, ?-pinene and 3-carene.

Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR) (2019)
Journal Article
Kemp, D. J., Tuttle, W. D., Gardner, A. M., Whalley, L. E., & Wright, T. G. (2019). Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR). Journal of Chemical Physics, 151(6), Article 064308. https://doi.org/10.1063/1.5115329

Evidence is found showing that coupling with vibration-torsion (“vibtor”) levels of both in-plane and out-of-plane vibrations is instrumental in causing dissipative intramolecular vibrational redistribution (IVR). Both zero-electron-kinetic-energy (Z... Read More about Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR).

Complexity surrounding an apparently simple Fermi resonance in p-fluorotoluene revealed using two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy (2019)
Journal Article
Kemp, D. J., Whalley, L. E., Gardner, A. M., Tuttle, W. D., Warner, L. G., & Wright, T. G. (2019). Complexity surrounding an apparently simple Fermi resonance in p-fluorotoluene revealed using two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy. Journal of Chemical Physics, 150(6), 064306/1-064306/14. https://doi.org/10.1063/1.5083682

Two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy is a powerful tool allowing overlapped features in an electronic spectrum to be separated, and interactions between vibrations and torsions to be identified. Here the technique is emplo... Read More about Complexity surrounding an apparently simple Fermi resonance in p-fluorotoluene revealed using two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy.

Unravelling overlaps and torsion-facilitated coupling using two-dimensional laser-induced fluorescence (2018)
Journal Article
Kemp, D. J., Gardner, A. M., Tuttle, W. D., & Wright, T. G. (2019). Unravelling overlaps and torsion-facilitated coupling using two-dimensional laser-induced fluorescence. Molecular Physics, 117(21), 3011-3026. https://doi.org/10.1080/00268976.2018.1554865

Two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy is employed to identify contributions to fluorescence excitation spectra that arise from both overlapping bands and coupling between zero-order states (ZOSs). Evidence is found for the... Read More about Unravelling overlaps and torsion-facilitated coupling using two-dimensional laser-induced fluorescence.

Identifying complex Fermi resonances in p-difluorobenzene using zero-electron-kinetic-energy (ZEKE) spectroscopy (2018)
Journal Article
Kemp, D. J., Gardner, A. M., Tuttle, W. D., Midgley, J., Reid, K. L., & Wright, T. G. (2018). Identifying complex Fermi resonances in p-difluorobenzene using zero-electron-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 149(9), (094301). doi:10.1063/1.5045544. ISSN 0021-9606

The vibrations of the ground state cation (X ̃2B2g) of para-difluorobenzene (pDFB) have been investigated using zero-electron-kinetic-energy (ZEKE) spectroscopy. A comprehensive set of ZEKE spectra were recorded via different vibrational levels of th... Read More about Identifying complex Fermi resonances in p-difluorobenzene using zero-electron-kinetic-energy (ZEKE) spectroscopy.

Effects of symmetry, methyl groups and serendipity on intramolecular vibrational energy dispersal (2018)
Journal Article
Tuttle, W. D., Gardner, A. M., Whalley, L. E., Kemp, D. J., & Wright, T. G. (2019). Effects of symmetry, methyl groups and serendipity on intramolecular vibrational energy dispersal. Physical Chemistry Chemical Physics, 21(26), 14133-14152. https://doi.org/10.1039/C8CP02757A

We consider two key parameters that have been proposed to be important for vibrational energy delocalization, closely related to intramolecular vibrational redistribution (IVR), in molecules. These parameters are the symmetry of the molecule, and the... Read More about Effects of symmetry, methyl groups and serendipity on intramolecular vibrational energy dispersal.

Vibrations of the p-chlorofluorobenzene cation (2018)
Journal Article
Kemp, D. J., Whalley, L. E., Tuttle, W. D., Gardner, A. M., Speake, B. T., & Wright, T. G. (in press). Vibrations of the p-chlorofluorobenzene cation. Physical Chemistry Chemical Physics, https://doi.org/10.1039/C8CP01274A

The vibrations of the ground state cation (X2B1) of para-chlorofluorobenzene (pClFB) have been investigated using zero-electron-kinetic-energy (ZEKE) spectroscopy. ZEKE spectra were recorded using different vibrational levels of the S1 state as inter... Read More about Vibrations of the p-chlorofluorobenzene cation.

Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes (2018)
Journal Article
Kemp, D. J., Tuttle, W. D., Jones, F. M., Gardner, A. M., Andrejeva, A., Wakefield, J. C., & Wright, T. G. (in press). Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes. Journal of Molecular Spectroscopy, 346, https://doi.org/10.1016/j.jms.2018.02.002

The assignment of vibrational structure in spectra gives valuable insights into geometric and electronic structure changes upon electronic excitation or ionization; particularly when such information is available for families of molecules. We give a... Read More about Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes.

Direct observation of vibrational energy dispersal: Via methyl torsions (2018)
Journal Article
Gardner, A. M., Tuttle, W. D., Whalley, L. E., & Wright, T. G. (2018). Direct observation of vibrational energy dispersal: Via methyl torsions. Chemical Science, 9(8), 2270-2283. https://doi.org/10.1039/c7sc05309f

© 2018 The Royal Society of Chemistry. Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S1 state of para-fluorotoluene (pFT... Read More about Direct observation of vibrational energy dispersal: Via methyl torsions.

Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes (2017)
Journal Article
Tuttle, W. D., Gardner, A. M., Andrejeva, A., Kemp, D., Wakefield, J. C., & Wright, T. G. (in press). Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes. Journal of Molecular Spectroscopy, 344, https://doi.org/10.1016/j.jms.2017.10.011

The form of molecular vibrations, and changes in these, give valuable insights into geometric and electronic structure upon electronic excitation or ionization, and within families of molecules. Here, we give a description of the phenyl-ring-localize... Read More about Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes.

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p-chlorofluorobenzene (2017)
Journal Article
Tuttle, W. D., Gardner, A. M., & Wright, T. G. (2017). Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p-chlorofluorobenzene. Chemical Physics Letters, 684, 339-345. https://doi.org/10.1016/j.cplett.2017.07.008

The S1 ← S0 (A ~ 1B2 ← X~ 1A1) electronic transition of para-chlorofluorobenzene has been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Assignment of the vibrational structure has been achieved by comparison with... Read More about Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p-chlorofluorobenzene.

Vibration and vibration-torsion levels of the S1 state of para-fluorotoluene in the 580–830 cm-1 range: interactions and coincidences (2017)
Journal Article
Tuttle, W. D., Gardner, A. M., Whalley, L. E., & Wright, T. G. (2017). Vibration and vibration-torsion levels of the S1 state of para-fluorotoluene in the 580–830 cm-1 range: interactions and coincidences. Journal of Chemical Physics, 146(24), Article 244310. https://doi.org/10.1063/1.4986862

A study of the vibration and vibration-torsion levels of para-fluorotoluene (pFT) in the 580–830 cm-1 region is presented, where a number of features are located whose identity is complicated by interactions and overlap. We examine this region with a... Read More about Vibration and vibration-torsion levels of the S1 state of para-fluorotoluene in the 580–830 cm-1 range: interactions and coincidences.

Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy (2017)
Journal Article
Gardner, A. M., Tuttle, W. D., Groner, P., & Wright, T. G. (in press). Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 146(12), https://doi.org/10.1063/1.4977896

For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state... Read More about Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy.

Vibrational and vibrational-torsional interactions in the 0–600 cm-1 region of the S1 ← S0 spectrum of p-xylene investigated with resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy (2017)
Journal Article
Tuttle, W. D., Gardner, A. M., O'Regan, K. B., Malewicz, W., & Wright, T. G. (in press). Vibrational and vibrational-torsional interactions in the 0–600 cm-1 region of the S1 ← S0 spectrum of p-xylene investigated with resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 146, Article 124309. https://doi.org/10.1063/1.4977897

We assign the 0–600 cm-1 region of the S1 ← S0 transition in p-xylene using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the 0–300 cm-1 range, as well as the intense origin band there are a number... Read More about Vibrational and vibrational-torsional interactions in the 0–600 cm-1 region of the S1 ← S0 spectrum of p-xylene investigated with resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy.

Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene (2016)
Journal Article
Gardner, A. M., Tuttle, W. D., Whalley, L., Clayton, A., Carter, J. H., & Wright, T. G. (in press). Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene. Journal of Chemical Physics, 145(124307), https://doi.org/10.1063/1.4962822

We investigate the low-energy transitions (0–570 cm-1) of the S1 state of para-fluorotoluene (pFT) using a combination of resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy and quantum chemical calculations.... Read More about Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene.

Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules (2016)
Journal Article
Andrejeva, A., Gardner, A. M., Tuttle, W. D., & Wright, T. G. (2016). Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules. Journal of Molecular Spectroscopy, https://doi.org/10.1016/j.jms.2016.02.004

We give a description of the phenyl-ring-localized vibrational modes of the ground states of the para-disubstituted benzene molecules including both symmetric and asymmetric cases. In line with others, we quickly conclude that the use of Wilson mode... Read More about Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules.

Theoretical study of M+ RG2: (M+= Ca, Sr, Ba and Ra; RG= He–Rn) (2015)
Journal Article
Andrejeva, A., Gardner, A. M., Graneek, J. B., Breckenridge, W., & Wright, T. G. (2015). Theoretical study of M+ RG2: (M+= Ca, Sr, Ba and Ra; RG= He–Rn). Journal of Physical Chemistry A, 119(23), https://doi.org/10.1021/jp511817g

Ab initio calculations were employed to investigate M+ RG2 species, where M+ = Ca, Sr, Ba and Ra and RG= He–Rn. Geometries have been optimized, and cuts through the potential energy surfaces containing each global minimum have been calculated at the... Read More about Theoretical study of M+ RG2: (M+= Ca, Sr, Ba and Ra; RG= He–Rn).

The 700-1500 cm-1 region of the S1 (A1-B-2) state of toluene studied with resonance-enhanced multiphoton ionization (REMPI), zero-kinetic-energy (ZEKE) spectroscopy,and time-resolved slow-electron velocity-map imaging (tr-SEVI) spectroscopy (2014)
Journal Article
Gardner, A. M., Green, A. M., Tamé-Reyes, V. M., Reid, K. L., Davies, J. A., Parkes, V. H., & Wright, T. G. (2014). The 700-1500 cm-1 region of the S1 (A1-B-2) state of toluene studied with resonance-enhanced multiphoton ionization (REMPI), zero-kinetic-energy (ZEKE) spectroscopy,and time-resolved slow-electron velocity-map imaging (tr-SEVI) spectroscopy. Journal of Chemical Physics, 140(11), Article 114308. https://doi.org/10.1063/1.4867970

We report (nanosecond) resonance-enhanced multiphoton ionization (REMPI), (nanosecond) zero-kinetic-energy (ZEKE) and (picosecond) time-resolved slow-electron velocity map imaging (tr-SEVI) spectra of fully hydrogenated toluene (Tol-h8) and the deute... Read More about The 700-1500 cm-1 region of the S1 (A1-B-2) state of toluene studied with resonance-enhanced multiphoton ionization (REMPI), zero-kinetic-energy (ZEKE) spectroscopy,and time-resolved slow-electron velocity-map imaging (tr-SEVI) spectroscopy.

Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1) (2013)
Journal Article
Gardner, A. M., Green, A. M., Tamé-Reyes, V. M., Wilton, V. H., & Wright, T. G. (2013). Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1). Journal of Chemical Physics, 138(13), https://doi.org/10.1063/1.4796204

We commence by presenting an overview of the assignment of the vibrational frequencies of the toluene molecule in its ground (S0) state. The assignment given is in terms of a recently-proposed nomenclature, which allows the ring-localized vibrations... Read More about Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1).