Photon Tools for Physical Chemistry 2019

Session

Reaction kinetics and mechanisms I

11 Jan 2019, 13:45

Beatenberg, Switzerland

Conveners

Reaction kinetics and mechanisms I

• Andras Bodi (Paul Scherrer Institut)

54. Introduction

Andras Bodi (Paul Scherrer Institut)

11/01/2019, 13:45

22. Reaction product determination using photoionization/mass spectrometry techniques down to very low temperatures: applications to combustion and molecular astrophysics

Prof. Sébastien Le Picard (Univ Rennes, CNRS, IPR)

11/01/2019, 13:55

Understanding the mechanism of elementary gas phase reactions leading to the formation of molecules and clusters in various conditions, especially at very low temperatures (i.e. low collision energies), is of fundamental interest and yields crucial information for modelling gaseous environments encountered in the fields of atmospheric chemistry (of the Earth and other planets) and...

29. Automated exploration of reactive potential energy surfaces

Dr Judit Zádor (Sandia National Laboratories)

11/01/2019, 14:20

The determination of accurate rate coefficients remains a key challenge for a wide variety of chemical research areas, such as heterogeneous catalysis, liquid-phase chemistry and gas-phase processes. While research in the past decades has focused intensively on how to accurately calculate rate coefficients, the developed methods often incorporate several manual actions and need expert user...

44. Isomerisation studies in ion traps

Mr Pavol Jusko (IRAP)

11/01/2019, 14:45

Hot topic

The benzylium/ tropylium ion (C$_7$H$_7^+$) dichotomy is well known in mass spectrometry and could be of interest for larger species such as the 1-methylpyrene fragment (C$_{17}$H$_{11}^+$) [1].
Common ways of distinguishing isomers are spectroscopy and chemical reactivity. In ion traps, the density of species is too low for conventional absorption spectroscopy and action schemes have to be...