Gas-phase reactivity of phenylcarbyne anions
Gas-phase reactivities of the phenylcarbyne anion and its four derivatives were studied
using a linear quadrupole ion trap mass spectrometer. The phenylcarbyne anions were …
using a linear quadrupole ion trap mass spectrometer. The phenylcarbyne anions were …
Relative Reactivities of Three Isomeric Aromatic Biradicals with a 1, 4‐Biradical Topology Are Controlled by Polar Effects
Unexpectedly, the 5‐dehydroquinoline radical cation was formed in the gas phase from the
5‐iodo‐8‐nitroquinolinium cation upon ion‐trap collision‐activated dissociation. This …
5‐iodo‐8‐nitroquinolinium cation upon ion‐trap collision‐activated dissociation. This …
Protonated Ground-State Singlet meta-Pyridynes React from an Excited Triplet State
The gaseous 2, 6-didehydropyridinium cation and its derivatives transfer a proton to
reagents for which the reaction for their singlet ground states is too endothermic to be …
reagents for which the reaction for their singlet ground states is too endothermic to be …
Understanding Radicals via Orbital Parities
RG Shirazi, BM Schoenauer, P Schmitteckert… - arXiv preprint arXiv …, 2024 - arxiv.org
We introduce analysis of orbital parities as a concept and a tool for understanding radicals.
Based on fundamental reduced one-and two-electron density matrices, our approach allows …
Based on fundamental reduced one-and two-electron density matrices, our approach allows …
Efficient Random Phase Approximation for Diradicals
RG Shirazi, VV Rybkin, M Marthaler… - arXiv preprint arXiv …, 2024 - arxiv.org
We apply the analytically solvable model of two electrons in two orbitals to diradical
molecules, characterized by two unpaired electrons. The effect of the doubly occupied and …
molecules, characterized by two unpaired electrons. The effect of the doubly occupied and …
Mass Spectrometric Methods Development for Identification of Drug/Herbicide Substances and Mutagenic Impurities, and Gas-Phase Reactivity Study of …
E Feng - 2022 - search.proquest.com
Mass spectrometry (MS) is a versatile analytical tool that is especially useful for identification
of unknown compounds in mixtures when coupled with chromatography. In MS experiments …
of unknown compounds in mixtures when coupled with chromatography. In MS experiments …
ION-MOLECULE REACTIONS STUDIED BY USING DENSITY FUNCTIONAL THEORY CALCULATIONS AND MASS SPECTROMETRY FOR SATURATED …
JR Milton - 2021 - hammer.purdue.edu
The work described herein is related to gas-phase ion-molecule reactions studied by using
mass spectrometry. Chapter 2 describes density functional theory, a method used in …
mass spectrometry. Chapter 2 describes density functional theory, a method used in …