---
_id: '41010'
abstract:
- lang: eng
  text: We present the η3-coordination of the 2-phosphaethynthiolate anion in the
    complex (PN)2La(SCP) (2) [PN=N-(2-(diisopropylphosphanyl)-4-methylphenyl)-2,4,6-trimethylanilide)].
    Structural comparison with dinuclear thiocyanate-bridged (PN)2La(μ-1,3-SCN)2La(PN)2
    (3) and azide-bridged (PN)2La(μ-1,3-N3)2La(PN)2 (4) complexes indicates that the
    [SCP]− coordination mode is mainly governed by electronic, rather than steric
    factors. Quantum mechanical investigations reveal large contributions of the antibonding
    π*-orbital of the [SCP]− ligand to the LUMO of complex 2, rendering it the ideal
    precursor for the first functionalization of the [SCP]− anion. Complex 2 was therefore
    reacted with CAACs which induced a selective rearrangement of the [SCP]− ligand
    to form the first CAAC stabilized group 15–group 16 fulminate-type complexes (PN)2La{SPC(RCAAC)}
    (5 a,b, R=Ad, Me). A detailed reaction mechanism for the SCP-to-SPC isomerization
    is proposed based on DFT calculations.
article_type: original
author:
- first_name: Fabian A.
  full_name: Watt, Fabian A.
  last_name: Watt
- first_name: Lukas
  full_name: Burkhardt, Lukas
  last_name: Burkhardt
- first_name: Roland
  full_name: Schoch, Roland
  id: '48467'
  last_name: Schoch
  orcid: 0000-0003-2061-7289
- first_name: Stefan
  full_name: Mitzinger, Stefan
  last_name: Mitzinger
- first_name: Matthias
  full_name: Bauer, Matthias
  id: '47241'
  last_name: Bauer
  orcid: 0000-0002-9294-6076
- first_name: Florian
  full_name: Weigend, Florian
  last_name: Weigend
- first_name: Jose M.
  full_name: Goicoechea, Jose M.
  last_name: Goicoechea
- first_name: Frank
  full_name: Tambornino, Frank
  last_name: Tambornino
- first_name: Stephan
  full_name: Hohloch, Stephan
  last_name: Hohloch
citation:
  ama: Watt FA, Burkhardt L, Schoch R, et al. η            <sup>3</sup>           
    ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.
    <i>Angewandte Chemie International Edition</i>. 2021;60(17):9534-9539. doi:<a
    href="https://doi.org/10.1002/anie.202100559">10.1002/anie.202100559</a>
  apa: Watt, F. A., Burkhardt, L., Schoch, R., Mitzinger, S., Bauer, M., Weigend,
    F., Goicoechea, J. M., Tambornino, F., &#38; Hohloch, S. (2021). η           
    <sup>3</sup>            ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate
    Anion at Lanthanum(III)**. <i>Angewandte Chemie International Edition</i>, <i>60</i>(17),
    9534–9539. <a href="https://doi.org/10.1002/anie.202100559">https://doi.org/10.1002/anie.202100559</a>
  bibtex: '@article{Watt_Burkhardt_Schoch_Mitzinger_Bauer_Weigend_Goicoechea_Tambornino_Hohloch_2021,
    title={η            <sup>3</sup>            ‐Coordination and Functionalization
    of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**}, volume={60}, DOI={<a
    href="https://doi.org/10.1002/anie.202100559">10.1002/anie.202100559</a>}, number={17},
    journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Watt,
    Fabian A. and Burkhardt, Lukas and Schoch, Roland and Mitzinger, Stefan and Bauer,
    Matthias and Weigend, Florian and Goicoechea, Jose M. and Tambornino, Frank and
    Hohloch, Stephan}, year={2021}, pages={9534–9539} }'
  chicago: 'Watt, Fabian A., Lukas Burkhardt, Roland Schoch, Stefan Mitzinger, Matthias
    Bauer, Florian Weigend, Jose M. Goicoechea, Frank Tambornino, and Stephan Hohloch.
    “η            <sup>3</sup>            ‐Coordination and Functionalization of the
    2‐Phosphaethynthiolate Anion at Lanthanum(III)**.” <i>Angewandte Chemie International
    Edition</i> 60, no. 17 (2021): 9534–39. <a href="https://doi.org/10.1002/anie.202100559">https://doi.org/10.1002/anie.202100559</a>.'
  ieee: 'F. A. Watt <i>et al.</i>, “η            <sup>3</sup>            ‐Coordination
    and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**,”
    <i>Angewandte Chemie International Edition</i>, vol. 60, no. 17, pp. 9534–9539,
    2021, doi: <a href="https://doi.org/10.1002/anie.202100559">10.1002/anie.202100559</a>.'
  mla: Watt, Fabian A., et al. “η            <sup>3</sup>            ‐Coordination
    and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.”
    <i>Angewandte Chemie International Edition</i>, vol. 60, no. 17, Wiley, 2021,
    pp. 9534–39, doi:<a href="https://doi.org/10.1002/anie.202100559">10.1002/anie.202100559</a>.
  short: F.A. Watt, L. Burkhardt, R. Schoch, S. Mitzinger, M. Bauer, F. Weigend, J.M.
    Goicoechea, F. Tambornino, S. Hohloch, Angewandte Chemie International Edition
    60 (2021) 9534–9539.
date_created: 2023-01-30T17:00:21Z
date_updated: 2023-01-31T08:06:50Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/anie.202100559
intvolume: '        60'
issue: '17'
keyword:
- General Chemistry
- Catalysis
language:
- iso: eng
page: 9534-9539
publication: Angewandte Chemie International Edition
publication_identifier:
  issn:
  - 1433-7851
  - 1521-3773
publication_status: published
publisher: Wiley
status: public
title: η            <sup>3</sup>            ‐Coordination and Functionalization of
  the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**
type: journal_article
user_id: '48467'
volume: 60
year: '2021'
...