[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 …
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
The gas phase anion photoelectron spectrum associated with the bromide-bromomethyl
radical is presented. The stabilisation energy and electron binding energy, a property …
radical is presented. The stabilisation energy and electron binding energy, a property …
Halide–propene complexes: validated DSD-PBEP86-D3BJ calculations and photoelectron spectroscopy
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 …
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
A combined experimental and theoretical approach has been used to study the bromide-
ethylene and iodide-ethylene gas-phase complexes. Experimental anion photoelectron …
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 …
presented in conjunction with results from high-level theoretical calculations. The …
Asymmetric halogen dioxides: High level calculations and anion photoelectron spectroscopy
Gas phase complexes formed between bromide and iodide anions and molecular oxygen
are investigated via high level CCSD (T) calculations and experimental anion photoelectron …
are investigated via high level CCSD (T) calculations and experimental anion photoelectron …
Anion photoelectron spectroscopy and CCSD (T) calculations of the Cl−⋯ N2 complex
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) …
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 …
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 …
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
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 …
anions and nitric oxide, X−⋯ NO where X−= Cl−, Br−, and I−. Electron binding energies are …