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Peer-reviewedCC BY 3.0Chemical Communications (Cambridge, England)

Pulsed hyperfine EPR study of formally divalent rare earth (scandium, yttrium, lanthanum) arene complexes

  1. 1Photon Science Institute, Centre for Radiochemical Research and Department of Chemistry, The University of Manchester Manchester M13 9PL UK

Abstract

Pulsed EPR hyperfine spectroscopy of the formal rare earth(ii) arene complexes [REII(NHAriPr6)2] (2M, M = Sc, Y, La; NHAriPr6 = {N(H)C6H3-2,6-(C6H2-2,4,6-iPr3)2}), supported by DFT, reveals extensive delocalisation of spin density to the arene ring bound to the metal (56–73% Mulliken spin population, 42–53% Löwdin orbital population of SOMO, from DFT). Hence, they are RE(ii) complexes in a formal sense only.

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BibTeX
@article{hajdu2026pulsed,
  title = {{Pulsed hyperfine EPR study of formally divalent rare earth (scandium, yttrium, lanthanum) arene complexes}},
  author = {Tomáš Hajdu and Ross E. MacKenzie and Floriana Tuna and Conrad A. P. Goodwin and Eric J. L. McInnes},
  journal = {Chemical Communications (Cambridge, England)},
  year = {2026},
  month = oct,
  doi = {10.1039/d6cc06362d},
  url = {https://doi.org/10.1039/d6cc06362d},
  note = {CC BY 3.0},
}
RIS
TY  - JOUR
TI  - Pulsed hyperfine EPR study of formally divalent rare earth (scandium, yttrium, lanthanum) arene complexes
AU  - Tomáš Hajdu
AU  - Ross E. MacKenzie
AU  - Floriana Tuna
AU  - Conrad A. P. Goodwin
AU  - Eric J. L. McInnes
PY  - 2026
DA  - 2026/10/22
JO  - Chemical Communications (Cambridge, England)
DO  - 10.1039/d6cc06362d
UR  - https://doi.org/10.1039/d6cc06362d
AB  - Pulsed EPR hyperfine spectroscopy of the formal rare earth(ii) arene complexes [REII(NHAriPr6)2] (2M, M = Sc, Y, La; NHAriPr6 = {N(H)C6H3-2,6-(C6H2-2,4,6-iPr3)2}), supported by DFT, reveals extensive delocalisation of spin density to the arene ring bound to the metal (56–73% Mulliken spin population, 42–53% Löwdin orbital population of SOMO, from DFT). Hence, they are RE(ii) complexes in a formal sense only.
SN  - 1359-7345
SN  - 1364-548X
ER  -