Jump to main content
Jump to site search
SCHEDULED MAINTENANCE Close the message box

Maintenance work is planned for Monday 16 August 2021 from 07:00 to 23:59 (BST).

Website performance may be temporarily affected and you may not be able to access some PDFs or images. If this does happen, refreshing your web browser should resolve the issue. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 13, 2010

PFI-ZEKE photoelectron spectrum of CH2F2, ionisation potential and ionic fragmentation appearance potentials

Author affiliations

Abstract

The first vibrationally resolved pulsed-field-ionisation zero-kinetic-energy (PFI-ZEKE) photoelectron spectrum of difluoromethane from its adiabatic ionisation potential (formation of the C2v conformer of CH2F2+) to the onset of the first ionic fragmentation channel is presented. Precise values for the adiabatic ionisation potential (12.7252 ± 0.0009 eV) and the appearance potentials of the H loss product (13.065 ± 0.003 eV) and the F loss product (14.30 ± 0.06 eV) of the cation are reported. Ab initio harmonic calculations were performed at the MP2 level with quadruple-ζ basis sets in an attempt to assign the newly observed vibrational structure which, in its previously published low resolution form, led to numerous speculations regarding its true origin. The adiabatic ionisation potential and the fragmentation appearance potentials for the three lowest dissociation channels are also predicted in the complete basis set limit of CCSD(T) theory.

Graphical abstract: PFI-ZEKE photoelectron spectrum of CH2F2, ionisation potential and ionic fragmentation appearance potentials

Article information


Submitted
26 Oct 2009
Accepted
13 Jan 2010
First published
19 Feb 2010

Phys. Chem. Chem. Phys., 2010,12, 3121-3130
Article type
Paper

PFI-ZEKE photoelectron spectrum of CH2F2, ionisation potential and ionic fragmentation appearance potentials

P. W. Forysinski, P. Zielke, D. Luckhaus and R. Signorell, Phys. Chem. Chem. Phys., 2010, 12, 3121 DOI: 10.1039/B922298G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements