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Structural studies of metal ligand complexes by ion mobility-mass spectrometry

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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. Creaser
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.

History

School

  • Science

Department

  • Chemistry

Published in

International Journal for Ion Mobility Spectrometry

Volume

16

Issue

1

Pages

61 - 67

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.

Publisher

© Springer Verlag

Version

  • 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

2013

Notes

The final publication is available at Springer via http://dx.doi.org/10.1007/s12127-013-0122-8

ISSN

1435-6163

eISSN

1865-4584

Language

  • en

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