[PDF][PDF] Experimental and Theoretical Approaches for Characterizing Halogen Bonding

HS Samuel, U Nweke-Mariazu… - J. Appl. Organomet …, 2023 - researchgate.net
The interaction between a halogen atom and an electron-rich species is known as halogen
bonding. Due to its importance in numerous scientific domains, including materials science …

The bromide-bromomethyl radical dimer complex: Anion photoelectron spectroscopy and CCSD (T) calculations

CT Haakansson, TR Corkish, PD Watson… - Chemical Physics …, 2020 - Elsevier
The gas phase anion photoelectron spectrum associated with the bromide-bromomethyl
radical is presented. The stabilisation energy and electron binding energy, a property …

Halide–propene complexes: validated DSD-PBEP86-D3BJ calculations and photoelectron spectroscopy

PD Watson, TR Corkish, CT Haakansson… - Physical Chemistry …, 2022 - pubs.rsc.org
Anion photoelectron spectroscopy has been used to determine the electron binding
energies of the X−⋯ C3H6 (X= Cl, Br, I) complexes. To complement the experimental spectra …

Halides and the carbon-carbon double bond: Interactions of ethylene with bromide and iodide

CT Haakansson, TR Corkish, PD Watson… - Chemical Physics …, 2022 - Elsevier
A combined experimental and theoretical approach has been used to study the bromide-
ethylene and iodide-ethylene gas-phase complexes. Experimental anion photoelectron …

The Structure of CCl5 in the Gas Phase

TR Corkish, CT Haakansson… - The Journal of …, 2019 - ACS Publications
The first experimental evidence of the structure of the CCl5–gas-phase anion complex is
presented in conjunction with results from high-level theoretical calculations. The …

Asymmetric halogen dioxides: High level calculations and anion photoelectron spectroscopy

PD Watson, AJ McKinley, DA Wild - Journal of Molecular Spectroscopy, 2020 - Elsevier
Gas phase complexes formed between bromide and iodide anions and molecular oxygen
are investigated via high level CCSD (T) calculations and experimental anion photoelectron …

Anion photoelectron spectroscopy and CCSD (T) calculations of the Cl−⋯ N2 complex

PD Watson, H Yong, KML Lapere, M Kettner… - Chemical Physics …, 2016 - Elsevier
The gas phase anion photoelectron spectrum of the Cl−⋯ N 2 complex is presented,
allowing determination of the electron binding energy, and is compared to CCSD (T) …

Evidence for a water-stabilised ion radical complex: photoelectron spectroscopy and ab initio calculations

TR Corkish, CT Haakansson… - Australian Journal of …, 2020 - CSIRO Publishing
A photoelectron spectrum corresponding to an unknown 174 m/z anion complex has been
recorded. Initially believed to be I−… CH3CH2OH (173 m/z), the spectrum has been …

Paradoxes and paradigms: on ambisaline ions of nitrogen

M Ponikvar-Svet, KF Edwards, JF Liebman - Structural Chemistry, 2021 - Springer
Ambisaline ions can be defined as species that exist as cations and as anions in appropriate
salts although admittedly not necessarily with well-known or commonly existing counterions …

Anion Photoelectron Spectroscopy and High Level Ab Initio Calculations of the Halide–Nitric Oxide Dimer Complexes

KML Lapere, AJ McKinley, D Wild - Australian Journal of …, 2018 - CSIRO Publishing
Anion photoelectron spectra are presented for gas phase complexes formed between halide
anions and nitric oxide, X−⋯ NO where X−= Cl−, Br−, and I−. Electron binding energies are …