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Analysis of the volatile monoterpene composition of citrus essential oils by photoelectron spectroscopy employing continuously monitored dynamic headspace sampling (2023)
Journal Article
Ganjitabar, H., Hadidi, R., Garcia, G. A., Nahon, L., & Powis, I. (2023). Analysis of the volatile monoterpene composition of citrus essential oils by photoelectron spectroscopy employing continuously monitored dynamic headspace sampling. Analyst, 148(24), 6228–6240. https://doi.org/10.1039/d3an01448g

A new photoelectron spectroscopic method permitting a quantitative analysis of the volatile headspace of several essential oils is presented and discussed. In particular, we focus on the monoterpene compounds, which are known to be the dominant volat... Read More about Analysis of the volatile monoterpene composition of citrus essential oils by photoelectron spectroscopy employing continuously monitored dynamic headspace sampling.

The Rydberg 3p multiplet structure of the fenchone C band absorption (2023)
Journal Article
Powis, I., & Singh, D. P. (2023). The Rydberg 3p multiplet structure of the fenchone C band absorption. Physical Chemistry Chemical Physics, 25(25), 16712-16717. https://doi.org/10.1039/d3cp01572f

The vibrationally structured 3pz Rydberg excitation is identified and assigned in the VUV absorption spectrum of fenchone with an origin at 6.31 eV, below the prominent 6.4 eV C̃ (nominally 3p) band onset. This feature cannot, however, be observed in... Read More about The Rydberg 3p multiplet structure of the fenchone C band absorption.

Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers (2023)
Journal Article
Facciala, D., Devetta, M., Beauvarlet, S., Besley, N., Calegari, F., Callegari, C., …Vozzi, C. (2023). Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers. Physical Review X, 13(1), Article 011044. https://doi.org/10.1103/PhysRevX.13.011044

Chirality is widespread in nature, playing a fundamental role in biochemical processes and in the origin of life itself. The observation of dynamics in chiral molecules is crucial for the understanding and control of the chiral activity of photoexcit... Read More about Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers.

Photoelectron circular dichroism in angle-resolved photoemission from liquid fenchone (2022)
Journal Article
Pohl, M. N., Malerz, S., Trinter, F., Lee, C., Kolbeck, C., Wilkinson, I., …Hergenhahn, U. (2022). Photoelectron circular dichroism in angle-resolved photoemission from liquid fenchone. Physical Chemistry Chemical Physics, 24(14), 8081-8092. https://doi.org/10.1039/d1cp05748k

We present an experimental X-ray photoelectron circular dichroism (PECD) study of liquid fenchone at the C 1s edge. A novel setup to enable PECD measurements on a liquid microjet [Malerz et al., Rev. Sci. Instrum., 2022, 93, 015101] was used. For the... Read More about Photoelectron circular dichroism in angle-resolved photoemission from liquid fenchone.

An experimental and theoretical study of the Kr 3d correlation satellites (2022)
Journal Article
Kiselev, M. D., Reinhardt, M., Patanen, M., Kivimaki, A. E., Powis, I., Zatsarinny, O., …Holland, D. M. P. (2022). An experimental and theoretical study of the Kr 3d correlation satellites. Journal of Physics B: Atomic, Molecular and Optical Physics, 55(5), Article 055002. https://doi.org/10.1088/1361-6455/ac521a

The Kr 3d correlation satellites have been studied experimentally by using plane polarized synchrotron radiation to record polarization dependent photoelectron spectra (PES), and theoretically by employing the R-matrix method to calculate photoioniza... Read More about An experimental and theoretical study of the Kr 3d correlation satellites.

Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride (2021)
Journal Article
Forbes, R., Hockett, P., Powis, I., Bozek, J. D., Pratt, S. T., & Holland, D. M. P. (2022). Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride. Physical Chemistry Chemical Physics, 24(3), 1367-1379. https://doi.org/10.1039/d1cp04797c

Linearly polarized synchrotron radiation has been used to record polarization dependent, non-resonant Auger electron spectra of XeF2, encompassing the bands due to the xenon M45N1N45, M45N23N45, M45N45N45 and M45N45V and fluorine KVV transitions. Res... Read More about Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride.

Photoionization from the Xe 4d orbitals of XeF2 (2021)
Journal Article
Forbes, R., Hockett, P., Powis, I., Bozek, J. D., Holland, D. M., & Pratt, S. T. (2021). Photoionization from the Xe 4d orbitals of XeF2. Journal of Chemical Physics, 155(19), Article 194301. https://doi.org/10.1063/5.0068530

We present a comparison of the photoionization dynamics of the 4d shell of XeF2 from threshold to 250 eV to those of the prototypical 4d shell of atomic Xe. The new experimental data include spin-orbit and ligand-field-resolved partial cross sections... Read More about Photoionization from the Xe 4d orbitals of XeF2.

Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline (2021)
Journal Article
Hadidi, R., Božanić,, D. K., Ganjitabar, H., Garcia, G. A., Powis, I., & Nahon, L. (2021). Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline. Communications Chemistry, 4(1), Article 72. https://doi.org/10.1038/s42004-021-00508-z

Proline is a unique amino-acid, with a secondary amine fixed within a pyrrolidine ring providing specific structural properties to proline-rich biopolymers. Gas-phase proline possesses four main H-bond stabilized conformers differing by the ring puck... Read More about Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline.

Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19–90 eV photon energy (2021)
Journal Article
Duran, A. T., Powis, I., Holland, D. M. P., Nicolas, C., Bozek, J., Trofimov, A. B., …Skitnevskaya, A. D. (2021). Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19–90 eV photon energy. Journal of Chemical Physics, 154(9), Article 094303. https://doi.org/10.1063/5.0040049

Valence photoelectron spectra and photoelectron angular distributions of trans-dichloroethene have been measured with vibrational resolution at photon energies between 19 eV and 90 eV. Calculations of photoelectron anisotropy parameters, β, and harmo... Read More about Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19–90 eV photon energy.

An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride (2020)
Journal Article
Holland, D., Nandi, S., Nicolas, C., Bozek, J., Patanen, M., & Powis, I. (2021). An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride. Chemical Physics, 542, Article 111050. https://doi.org/10.1016/j.chemphys.2020.111050

Polarization dependent photoelectron spectra encompassing the outer valence orbitals of oxalyl chloride have been recorded in the photon energy range 19 – 91 eV. These have allowed photoelectron anisotropy parameters and branching ratios to be determ... Read More about An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride.

An Experimental and Theoretical Investigation of the 3sp(d) Rydberg States of Fenchone by Polarized laser Resonance-Enhanced-Multiphoton-ionization and Fourier Transform VUV Absorption Spectroscopy (2020)
Journal Article
Singh, D., de Oliveira, N., Garcia, G., Vredenborg, A., & Powis, I. (2020). An Experimental and Theoretical Investigation of the 3sp(d) Rydberg States of Fenchone by Polarized laser Resonance-Enhanced-Multiphoton-ionization and Fourier Transform VUV Absorption Spectroscopy. ChemPhysChem, 21(21), 2468-2483. https://doi.org/10.1002/cphc.202000365

The VUV absorption spectrum of fenchone is re?examined using Fourier transform spectrometry, revealing new vibrational structure. Picosecond laser (2+1) resonance enhanced multiphoton ionization (REMPI) spectroscopy complements this, providing an alt... Read More about An Experimental and Theoretical Investigation of the 3sp(d) Rydberg States of Fenchone by Polarized laser Resonance-Enhanced-Multiphoton-ionization and Fourier Transform VUV Absorption Spectroscopy.

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.

Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide (2018)
Journal Article
Forbes, R., De Fanis, A., Bomme, C., Rolles, D., Pratt, S. T., Powis, I., …Holland, D. M. (2018). Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide. Journal of Chemical Physics, 149(14), Article 144302. https://doi.org/10.1063/1.5035496

Ionization of the I 3d, 4s, and 4p orbitals in methyl iodide (CH3I) has been studied by using synchrotron radiation to measure the total ion yield and by recording photoelectron spectra with linearly polarized radiation in two polarization orientatio... Read More about Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide.

Vibrationally-resolved photoelectron spectroscopy and photoelectron circular dichroism of bicyclic monoterpene enantiomers (2018)
Journal Article
Ganjitabar, H., Hadidi, R., Garcia, G. A., Nahon, L., & Powis, I. (2018). Vibrationally-resolved photoelectron spectroscopy and photoelectron circular dichroism of bicyclic monoterpene enantiomers. Journal of Molecular Spectroscopy, 353, 11-19. https://doi.org/10.1016/j.jms.2018.08.007

The photoionization of four chiral bicyclic monoterpene isomers, α-pinene, β-pinene, 3-carene and sabinene — all commonly found constituents in essential natural oils — has been studied using synchrotron radiation and compared to recent findings for... Read More about Vibrationally-resolved photoelectron spectroscopy and photoelectron circular dichroism of bicyclic monoterpene enantiomers.

An experimental and theoretical study of the photoelectron spectra of cis-dichloroethene: valence shell vertical ionization and vibronic coupling in the low-lying cationic states (2018)
Journal Article
Trofimov, A., Powis, I., Menzies, R., Holland, D., Antonsson, E., Patanen, M., …Köppel, H. (2018). An experimental and theoretical study of the photoelectron spectra of cis-dichloroethene: valence shell vertical ionization and vibronic coupling in the low-lying cationic states. Journal of Chemical Physics, 149(7), Article 074306. https://doi.org/10.1063/1.5033425

The valence shell photoelectron spectrum of cis-dichloroethene has been studied both experimentally and theoretically. Photoelectron spectra have been recorded with horizontally and vertically plane polarized synchrotron radiation, thereby allowing t... Read More about An experimental and theoretical study of the photoelectron spectra of cis-dichloroethene: valence shell vertical ionization and vibronic coupling in the low-lying cationic states.

Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation (2018)
Journal Article
Fanood, M. M. R., Garcia, G. A., Ganjitabar, H., Nahon, L., Turchini, S., & Powis, I. (2018). Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation. ChemPhysChem, 19(8), 921-933. https://doi.org/10.1002/cphc.201701248

Photoionization of the chiral monoterpene limonene has been investigated using polarized synchrotron radiation between the adiabatic ionization threshold, 8.505 eV, and 23.5 eV. A rich vibrational structure is seen in the threshold photoelectron spec... Read More about Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation.

An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine (2017)
Journal Article
Holland, D., Powis, I., Trofimov, A., Menzies, R., Potts, A., Karlsson, L., …Schirmer, J. (in press). An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine. Journal of Chemical Physics, https://doi.org/10.1063/1.4999433

The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy rang... Read More about An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine.

Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene (2017)
Journal Article
Powis, I., Patanen, M., Antonsson, E., Nicolas, C., Miron, C., & Holland, D. M. (2017). Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene. Physical Review A, 96(1), Article 013413. https://doi.org/10.1103/PhysRevA.96.013413

Vibrational state-resolved photoelectron anisotropy parameters, beta, for the ~X 2B1, ~B 2B2, and ~C2B1 state ionizations of bromobenzene have been recorded at photon energies ranging from 20.5 to 94 eV, so spanning the region of the expected bromine... Read More about Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene.