Themed collection Ions, electrons, coincidences and dynamics: Festschrift for John H.D. Eland

This themed collection includes a collection of articles on ions, electrons, coincidences and dynamics: Festschrift for John H. D. Eland.

Synchrotron VUV photoionization molecular-beam mass spectrometry provides advantageous capabilities in probing key intermediates in combustion and catalysis reactions.

Photoelectron–photoion(s) coincidence, PEPICO, experiments with synchrotron radiation have become one of the most powerful tools to investigate dissociative photoionization thanks to their selectivity.

Sodium benzoate molecules solvated in water are studied using coincidence electron spectroscopy coupled with a liquid microjet device.

Internal energy selected valence ionized iodomethane exhibits more than 20 fragmentation pathways, identified based on the breakdown diagram, the kinetic energy release, and the known dissociative ionization energies.

Carbon K-edge resonant Auger spectra of gas-phase allene following excitation of the pre-edge 1s → π* transitions are presented and analysed with the support of EOM-CCSD/cc-pVTZ calculations.

We present a combined experimental and theoretical study on the dissociative ionisation of clusters of pyrene that shows non-statistical behaviour and suggests that the role of excited states must be considered in the interpretation of the results.

Combining resonant Auger spectroscopy and electron–ion coincidence measurements, the complex relaxation patterns of core-excited ammonia are revealed. Decay processes leading to the same fragment but with different timescales are enlightened.

Momentum vector correlation is a powerful tool to study molecular dissociation.

Can we observe site-sensitivity after X-ray core-ionisation of a symmetric molecule composed of the same heavy atom such as the carbon cage adamantane? We investigate this question using electron-ion coincidence spectroscopy and theoretical methods.

Auger decay from terminal carbon (left) leads to dynamic processes while Auger decay from the central carbon site in butadiene does not.

Photolysis of N,N-dimethylformamide offers a model for cleavage of the peptide bond in proteins. Excitation from a range of molecular geometries at 225 and 245 nm primarily populates the S₂ state, resulting in cleavage of the amide or N–CH₃ bond.

This article provides mechanistic insight into the two- and three-body fragmentation dynamics of CHBr₃ after strong-field ionization and discusses the possible isomerization of CHBr₃ to BrCHBr–Br (iso-CHBr₃) prior to the fragmentation.

We use advanced theoretical treatments and energetic ion collision induced fragmentation to investigate the unimolecular decomposition dynamics of CH₃Cl^q+ (q = 2,3) ions, where both obvious bond breaking and bond rearrangement products are observed.

The X-ray-induced charge-up and fragmentation process of a small molecule is examined in great detail by measuring the molecular-frame photoelectron interference pattern in conjunction with other observables in coincidence.

Combination of Coulomb explosion imaging, molecular frame diffraction imaging, and ab initio computations provide a route for enantio-sensitive structure determination.

A coupled electron–nuclear dynamical study is performed to investigate the sub-cycle dissociation and ionization of the H₂ molecule in a strong 750 nm 4.5 fs elliptically polarized laser pulse.

We report the X-ray absorption spectra of isolated H₃O⁺ and H₂O⁺ cations at the O 1s edge.

The kinetic energy of dissociation of polycyclic aromatic hydrocarbons is determined by application of recoil-frame covariance imaging analysis to velocity map images.

Using covariance analysis methods, we study the fragmentation dynamics of multiply ionized 1- and 2-iodopropane. Signatures of isomer-specific nuclear motion occurring during sequential fragmentation pathways are identified.

A combined experimental and theoretical study demonstrates the presence of stereodynamical effects in the charge exchange reactivity of He˙⁺ with CH₃OH, a key process in the astrochemistry of methanol.

Demethylation, demethoxylation and fulvenone ketene formation determine the reactivity of methoxyphenols over H-ZSM-5 to yield phenols, benzene and toluene. Intermediates are isomer-selectively detected utilizing threshold photoelectron spectroscopy.

A new ratiometric fluorescent probe (E)-2-(benzo[d]thiazol-2-yl)-3-(8-methoxyquinolin-2-yl)acrylonitrile (HQCN) was synthesised by the perfect blending of quinoline and a 2-benzothiazoleacetonitrile unit. The probe can selectively detects hydrazine and hypochlorite with two different outputs.

Cumulants are the statistical quantities that enable multi-dimensional mass spectrometry to reconstruct molecules from partially observed fragments.

Non-polar solvents decrease the energy barrier of Zn–Co disulphide to persulphide isomerisation and vice versa in both cationic and reduced form.

New magnet design of a magnetic bottle electron spectrometer allowing the detection of multiply charged ions in coincidence with n electrons. Electrons spectra obtained without and with filtering by coincidence with Xeⁿ⁺ ions.

How to look at the intramolecular motion of an atom – a result of the asymptotic behavior of the electron-atom Compton profile.

Auger-photoelectron coincidence spectroscopy affirms and clarifies the LVV spectrum of Cu to be atomic-like, Co itinerant and Ni mixed as predicted in the Cini–Sawatzky model.

Multi-mass velocity and covariance map imaging methods afford new insights into the fragmentation dynamics of multiply charged CF₃I^Z+ cations formed by near infrared strong field ionization.

We highlight the spectroscopic and electronic structure of BeCs⁺ ion, theoretically investigating ground and low lying excited states as well as the cold ion–atom elastic collisions proprieties and laser cooling possibility.

The Coster–Kronig and super Coster–Kronig decays from the 4s core-hole state in xenon are investigated by coincidence detection of all the emitted electrons and product ions, revealing the branching ratios and the subsequent decay pathways.

High-resolution anion photoelectron spectra of cryogenically cooled NiO₂⁻ anions, obtained using slow photoelectron velocity-map imaging (cryo-SEVI), are presented in tandem with coupled cluster electronic structure calculations including relativistic effects.

Cl-initiated oxidation of methacrolein (MACR) under NO_x-free conditions is investigated by using VUV photoionization mass spectrometry complemented by high-level theoretical calculations, and its detailed reaction mechanism is provided.

Coincidence ion pair production (I⁺ + I⁻) (cipp) spectra of I₂ were recorded in a double imaging coincidence experiment in the one-photon excitation region of 71 600–74 000 cm⁻¹.

Laser photodissociation of deprotonated salicylates reveals that electron detachment outcompetes molecular dissociation following photoexcitation due to the locations of the minimum energy crossing points on the excited state surfaces.

Reactions between CH₂CN²⁺ and Ar, N₂ and CO involve competition between collision-induced dissociation, proton transfer and electron transfer. The experiments reveal that CH₂CN²⁺ explores several geometries, a conclusion supported by calculations.

Experimental Auger electron spectra of C, N, and O 1s ionized and excited HCNO are compared with theoretical counterparts. A simple minimal-basis LCAO approach provides reliable estimates for the significantly different Auger transition rates.

Fragmentation dynamics of argon–water heteroclusters upon high energy electron irradiation were monitored with Auger electron–ion–ion coincidence spectroscopy, providing selectivity to the ionization site and the electronic decay process.

The outcomes of laser-induced Coulomb explosions can be predicted and matched to experiments using the computed vibrational motion of a target molecule.

We use synchrotron-based VUV single photon ionization and advanced theoretical simulations to unravelling the dissociative ionization of tert-butyl hydroperoxide where special treatment is undertaken because of the flexibility of this molecule.

The bimolecular reactivity and reaction dynamics following collisions of S²⁺ with Ar, H₂ and N₂ are investigated. The reactivity is dominated by electron transfer reactions, but the formation of SN⁺ is also detected following S²⁺ collisions with N₂.

Photodetachment spectroscopy and high-resolution photoelectron imaging of cryogenically cooled pyrrolide and imidazolide anions are used to probe pyrrolyl and imidazolyl radicals.