Crossed beam polyatomic reaction dynamics: recent advances and new insights

H Pan, K Liu, A Caracciolo… - Chemical Society Reviews, 2017 - pubs.rsc.org
Over the past ten years or so, great advances in our understanding of the dynamics of
elementary (bimolecular) polyatomic reactions in the gas-phase have occurred. This has …

Combustion in the future: The importance of chemistry

K Kohse-Höinghaus - Proceedings of the Combustion Institute, 2021 - Elsevier
Combustion involves chemical reactions that are often highly exothermic. Combustion
systems utilize the energy of chemical compounds released during this reactive process for …

Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine

P Recio, S Alessandrini, G Vanuzzo, G Pannacci… - Nature Chemistry, 2022 - nature.com
Two quantum effects can enable reactions to take place at energies below the barrier
separating reactants from products: tunnelling and intersystem crossing between coupled …

Reaction Dynamics of O(3P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential …

I Gimondi, C Cavallotti, G Vanuzzo… - The Journal of …, 2016 - ACS Publications
The mechanism of the O (3P)+ CH3CCH reaction was investigated using a combined
experimental/theoretical approach. Experimentally the reaction dynamics was studied using …

A New Pathway for Intersystem Crossing: Unexpected Products in the O(3P) + Cyclopentene Reaction

K Ramasesha, JD Savee, J Zádor… - The Journal of Physical …, 2021 - ACS Publications
We investigated the reaction of O (3P) with cyclopentene at 4 Torr and 298 K using time-
resolved multiplexed photoionization mass spectrometry, where O (3P) radicals were …

Reaction Dynamics of O(3P) + Propyne: I. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Crossed Molecular Beam Experiments

G Vanuzzo, N Balucani, F Leonori… - The Journal of …, 2016 - ACS Publications
We performed synergic experimental/theoretical studies on the mechanism of the O (3P)+
propyne reaction by combining crossed molecular beams experiments with mass …

Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P)

P Pokhilko, R Shannon, D Glowacki… - The Journal of …, 2018 - ACS Publications
The electronic structure of four prototypical Cvetanović diradicals, species derived by
addition of O (3P) to unsaturated compounds, is investigated by high-level electronic …

Isomer-Specific Chemistry in the Propyne and Allene Reactions with Oxygen Atoms: CH3CH + CO versus CH2CH2 + CO Products

G Vanuzzo, N Balucani, F Leonori… - The journal of …, 2016 - ACS Publications
We report direct experimental and theoretical evidence that, under single-collision
conditions, the dominant product channels of the O (3P)+ propyne and O (3P)+ allene …

Kinetic Study of OH Radical Reactions with Cyclopentenone Derivatives

P Rutto, E Ubana, TM Selby… - The Journal of Physical …, 2024 - ACS Publications
We investigated the reactions of the hydroxyl radical (OH) with cyclopentenone derivatives
and cyclopentanone in a quasi–static reaction cell at 4 Torr across a 300–500 K temperature …

Dissociative ionization and thermal decomposition of cyclopentanone

JIM Pastoors, A Bodi, P Hemberger… - … –A European Journal, 2017 - Wiley Online Library
Despite the growing use of renewable and sustainable biofuels in transportation, their
combustion chemistry is poorly understood, limiting our efforts to reduce harmful emissions …