volume 57 issue 24 pages 15330-15340

Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates

Joscha Nehrkorn 1, 2, 3, 4
S.L. Veber 5, 6
Liudmila A Zhukas 5, 6
K. Holldack 8
Karsten Holldack 8
Stefan Stoll 2
A. Schnegg 3, 4
Alexander Schnegg 3, 4
Publication typeJournal Article
Publication date2018-11-29
scimago Q1
wos Q1
SJR0.958
CiteScore7.4
Impact factor4.7
ISSN00201669, 1520510X
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Zero-field splitting (ZFS) of three high-spin Co(I) ( S = 1) clathrochelate complexes was determined by frequency-domain Fourier-transform THz-EPR (FD-FT THz-EPR). The following axial and rhombic ZFS values ( D and E, respectively) were determined: [N( n-Bu)4]CoI(GmCl2)3(BPh)2 (1, D/ hc = +16.43(1) cm-1, E/ hc = 0.0(1) cm-1), [P(Me2N)4]CoI(GmCl2)3(BPh)2 (2, D/ hc = +16.67(4) cm-1, E/ hc = 0.0(1) cm-1), and [P(C6H5)4]CoI(GmCl2)3(BPh)2 (3, D/ hc = +16.72(2) cm-1, E/ hc = 0.24(3) cm-1). Complementary susceptibility χ T measurements and quantum chemistry calculations on 1 revealed hard-axis-type magnetic anisotropy and allowed for a correlation of ZFS and the electronic structure. Increased rhombicity of 3 as compared to 1 and 2 was assigned to symmetry changes of the ligand structure induced by the change of the counterion. 1 and 3 exhibited temperature-dependent ZFS values. Possible reasons for this phenomenon, such as structural changes and weak chain-like intermolecular antiferromagnetic interactions, are discussed.
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Nehrkorn J. et al. Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates // Inorganic Chemistry. 2018. Vol. 57. No. 24. pp. 15330-15340.
GOST all authors (up to 50) Copy
Nehrkorn J., Veber S., Zhukas L. A., Novikov V. V., Nelyubina Y. V., Voloshin Y. Z., Holldack K., Holldack K., Stoll S., Schnegg A., Schnegg A. Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates // Inorganic Chemistry. 2018. Vol. 57. No. 24. pp. 15330-15340.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1021/acs.inorgchem.8b02670
UR - https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b02670
TI - Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates
T2 - Inorganic Chemistry
AU - Nehrkorn, Joscha
AU - Veber, S.L.
AU - Zhukas, Liudmila A
AU - Novikov, Valentin V
AU - Nelyubina, Yulia V.
AU - Voloshin, Yan Z.
AU - Holldack, K.
AU - Holldack, Karsten
AU - Stoll, Stefan
AU - Schnegg, A.
AU - Schnegg, Alexander
PY - 2018
DA - 2018/11/29
PB - American Chemical Society (ACS)
SP - 15330-15340
IS - 24
VL - 57
PMID - 30495930
SN - 0020-1669
SN - 1520-510X
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2018_Nehrkorn,
author = {Joscha Nehrkorn and S.L. Veber and Liudmila A Zhukas and Valentin V Novikov and Yulia V. Nelyubina and Yan Z. Voloshin and K. Holldack and Karsten Holldack and Stefan Stoll and A. Schnegg and Alexander Schnegg},
title = {Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates},
journal = {Inorganic Chemistry},
year = {2018},
volume = {57},
publisher = {American Chemical Society (ACS)},
month = {nov},
url = {https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b02670},
number = {24},
pages = {15330--15340},
doi = {10.1021/acs.inorgchem.8b02670}
}
MLA
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MLA Copy
Nehrkorn, Joscha, et al. “Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates.” Inorganic Chemistry, vol. 57, no. 24, Nov. 2018, pp. 15330-15340. https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b02670.