Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry

Alice C. Harnden; Elizaveta A. Suturina; Andrei S. Batsanov; P. Kanthi Senanayake; Mark A. Fox; Kevin Mason; Michele Vonci; Eric J.L. McInnes; Nicholas F. Chilton; David Parker

doi:10.1002/anie.201906031

Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry

Alice C. Harnden
, Elizaveta A. Suturina
, Andrei S. Batsanov
, P. Kanthi Senanayake
, Mark A. Fox
, Kevin Mason
, Michele Vonci
, Eric J.L. McInnes
, Nicholas F. Chilton
, David Parker^*

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

21 Citations (Scopus)

Abstract

In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility tensor as the Ln³⁺ ion is permuted conspire to mask modest changes in NMR paramagnetic shifts, but are evident in Yb EPR and Eu emission spectra.

Original language	English
Pages (from-to)	10290-10294
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	58
Issue number	30
Early online date	29 May 2019
DOIs	https://doi.org/10.1002/anie.201906031
Publication status	Published - 22 Jul 2019

User-Defined Keywords

coordination compounds
emission
EPR spectroscopy
lanthanide
NMR spectroscopy

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10.1002/anie.201906031

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Harnden, A. C., Suturina, E. A., Batsanov, A. S., Senanayake, P. K., Fox, M. A., Mason, K., Vonci, M., McInnes, E. J. L., Chilton, N. F., & Parker, D. (2019). Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry. Angewandte Chemie - International Edition, 58(30), 10290-10294. https://doi.org/10.1002/anie.201906031

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title = "Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry",

abstract = "In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility tensor as the Ln3+ ion is permuted conspire to mask modest changes in NMR paramagnetic shifts, but are evident in Yb EPR and Eu emission spectra.",

keywords = "coordination compounds, emission, EPR spectroscopy, lanthanide, NMR spectroscopy",

author = "Harnden, \{Alice C.\} and Suturina, \{Elizaveta A.\} and Batsanov, \{Andrei S.\} and Senanayake, \{P. Kanthi\} and Fox, \{Mark A.\} and Kevin Mason and Michele Vonci and McInnes, \{Eric J.L.\} and Chilton, \{Nicholas F.\} and David Parker",

note = "We thank EPSRC for support (EP/N006909/1; L01212X; N006895/1) including funding of the National EPR Facility, Bath University for a Fellowship, and Dr. D. S. Yufit for assistance with X-ray structural determinations. This paper is dedicated to the one who is always there. Publisher Copyright: {\textcopyright} 2019 Wiley-VCH Verlag GmbH \& Co. KGaA, Weinheim",

year = "2019",

month = jul,

day = "22",

doi = "10.1002/anie.201906031",

language = "English",

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pages = "10290--10294",

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T1 - Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry

AU - Harnden, Alice C.

AU - Suturina, Elizaveta A.

AU - Batsanov, Andrei S.

AU - Senanayake, P. Kanthi

AU - Fox, Mark A.

AU - Mason, Kevin

AU - Vonci, Michele

AU - McInnes, Eric J.L.

AU - Chilton, Nicholas F.

AU - Parker, David

N1 - We thank EPSRC for support (EP/N006909/1; L01212X; N006895/1) including funding of the National EPR Facility, Bath University for a Fellowship, and Dr. D. S. Yufit for assistance with X-ray structural determinations. This paper is dedicated to the one who is always there. Publisher Copyright: © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

PY - 2019/7/22

Y1 - 2019/7/22

N2 - In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility tensor as the Ln3+ ion is permuted conspire to mask modest changes in NMR paramagnetic shifts, but are evident in Yb EPR and Eu emission spectra.

AB - In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility tensor as the Ln3+ ion is permuted conspire to mask modest changes in NMR paramagnetic shifts, but are evident in Yb EPR and Eu emission spectra.

KW - coordination compounds

KW - emission

KW - EPR spectroscopy

KW - lanthanide

KW - NMR spectroscopy

UR - https://www.scopus.com/pages/publications/85068226658

U2 - 10.1002/anie.201906031

DO - 10.1002/anie.201906031

M3 - Journal article

C2 - 31140711

AN - SCOPUS:85068226658

SN - 1433-7851

VL - 58

SP - 10290

EP - 10294

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 30

ER -

Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry

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