2134/15924
Victoria E. Wright
Victoria E.
Wright
Fernando Castro-Gomez
Fernando
Castro-Gomez
Ewa Jurneczko
Ewa
Jurneczko
James C. Reynolds
James C.
Reynolds
Andrew M. Poulton
Andrew M.
Poulton
Steven D.R. Christie
Steven D.R.
Christie
Perdita Barran
Perdita
Barran
Carles Bo
Carles
Bo
Colin S. Creaser
Colin S.
Creaser
Structural studies of metal ligand complexes by ion mobility-mass spectrometry
Loughborough University
2014
untagged
Chemical Sciences not elsewhere classified
2014-09-24 13:16:19
Journal contribution
https://repository.lboro.ac.uk/articles/journal_contribution/Structural_studies_of_metal_ligand_complexes_by_ion_mobility-mass_spectrometry/9391124
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.