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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/15924

Title: Structural studies of metal ligand complexes by ion mobility-mass spectrometry
Authors: Wright, Victoria E.
Castro-Gomez, Fernando
Jurneczko, Ewa
Reynolds, James C.
Poulton, Andrew M.
Christie, Steven D.R.
Barran, Perdita
Bo, Carles
Creaser, Colin S.
Issue Date: 2013
Publisher: © Springer Verlag
Citation: 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.
Abstract: Collision 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.
Description: The final publication is available at Springer via http://dx.doi.org/10.1007/s12127-013-0122-8
Version: Accepted for publication
DOI: 10.1007/s12127-013-0122-8
URI: https://dspace.lboro.ac.uk/2134/15924
Publisher Link: http://dx.doi.org/10.1007/s12127-013-0122-8
ISSN: 1435-6163
Appears in Collections:Published Articles (Chemistry)

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