Structural studies of metal ligand complexes.pdf (261.6 kB)
Structural studies of metal ligand complexes by ion mobility-mass spectrometry
journal contribution
posted on 2014-09-24, 13:16 authored by Victoria E. Wright, Fernando Castro-Gomez, Ewa Jurneczko, James C. Reynolds, Andrew M. Poulton, Steven D.R. Christie, Perdita Barran, Carles Bo, Colin S. CreaserCollision cross sections (CCS) have been measured for three salen ligands, and their complexes with copper and zinc using travelling-wave ion mobility-mass spectrometry (TWIMS) and drift tube ion mobility-mass spectrometry (DTIMS), allowing a comparative size evaluation of the ligands and complexes. CCS measurements using TWIMS were determined using peptide and TAAH calibration standards. TWIMS measurements gave significantly larger CCS than DTIMS in helium, by 9 % for TAAH standards and 3 % for peptide standards, indicating that the choice of calibration standards is important in ensuring the accuracy of TWIMS-derived CCS measurements. Repeatability data for TWIMS was obtained for inter- and intra-day studies with mean RSDs of 1. 1 % and 0. 7 %, respectively. The CCS data obtained from IM-MS measurements are compared to CCS values obtained via the projection approximation, the exact hard spheres method and the trajectory method from X-ray coordinates and modelled structures using density functional theory (DFT) based methods. © 2013 Springer-Verlag Berlin Heidelberg.
History
School
- Science
Department
- Chemistry
Published in
International Journal for Ion Mobility SpectrometryVolume
16Issue
1Pages
61 - 67Citation
WRIGHT, V.E. ... et al, 2013. Structural studies of metal ligand complexes by ion mobility-mass spectrometry. International Journal for Ion Mobility Spectrometry, 16 (1), pp.61-67.Publisher
© Springer VerlagVersion
- AM (Accepted Manuscript)
Publisher statement
This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/Publication date
2013Notes
The final publication is available at Springer via http://dx.doi.org/10.1007/s12127-013-0122-8ISSN
1435-6163eISSN
1865-4584Publisher version
Language
- en