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Challenges in assignment of orbital populations in a high spin manganese(III) complex

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2016
Acc_C5DT03914B.pdf (1.206Mb)
Authors
Fitzpatrick, Anthony J.
Stepanović, Stepan
Mueller-Bunz, Helge
Gruden-Pavlović, Maja
Garcia-Fernandez, Pablo
Morgan, Grace G.
Article (Accepted Version)
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Abstract
Magnetic, structural and computational data of four complex salts with the same mononuclear high spin octahedral Mn(III) complex cation are reported. The manifestation of Jahn-Teller-like distortions in the Mn(III) cation is dependent on the nature of the charge-balancing anion, with small anions yielding a planar elongation and large anions freezing out a preferential axial elongation along one of the amine-Mn-imine directions within that same plane. Modulation of the lattice by changing the charge balancing anion results in mixing of the orbital symmetry due to vibrational perturbation.
Source:
Dalton Transactions, 2016, 45, 15, 6702-6708
Publisher:
  • Royal Soc Chemistry, Cambridge
Funding / projects:
  • Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (RS-172035)
  • COST Action [CM1305]
  • Ramon y Cajal fellowship [RYC-2013-12515]
  • Cultural Service of the French Embassy in Ireland
  • Science Foundation Ireland [12/IP/1703]
  • Irish Higher Education Authority
  • National University of Ireland
  • University College Dublin
Note:
  • Published version: http://cer.ihtm.bg.ac.rs/handle/123456789/3624
  • This is peer-reviewed version of the following article: Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H.; Gruden-Pavlović, M. A.; García-Fernández, P.; Morgan, G. G. Challenges in Assignment of Orbital Populations in a High Spin Manganese(Iii) Complex. Dalton Transactions 2016, 45 (15), 6702–6708. https://doi.org/10.1039/c5dt03914b

DOI: 10.1039/c5dt03914b

ISSN: 1477-9226

PubMed: 26974518

WoS: 000373994800044

Scopus: 2-s2.0-84964680292
[ Google Scholar ]
9
9
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/3625
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Fitzpatrick, Anthony J.
AU  - Stepanović, Stepan
AU  - Mueller-Bunz, Helge
AU  - Gruden-Pavlović, Maja
AU  - Garcia-Fernandez, Pablo
AU  - Morgan, Grace G.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3625
AB  - Magnetic, structural and computational data of four complex salts with the same mononuclear high spin octahedral Mn(III) complex cation are reported. The manifestation of Jahn-Teller-like distortions in the Mn(III) cation is dependent on the nature of the charge-balancing anion, with small anions yielding a planar elongation and large anions freezing out a preferential axial elongation along one of the amine-Mn-imine directions within that same plane. Modulation of the lattice by changing the charge balancing anion results in mixing of the orbital symmetry due to vibrational perturbation.
PB  - Royal Soc Chemistry, Cambridge
T2  - Dalton Transactions
T1  - Challenges in assignment of orbital populations in a high spin manganese(III) complex
VL  - 45
IS  - 15
SP  - 6702
EP  - 6708
DO  - 10.1039/c5dt03914b
ER  - 
@article{
author = "Fitzpatrick, Anthony J. and Stepanović, Stepan and Mueller-Bunz, Helge and Gruden-Pavlović, Maja and Garcia-Fernandez, Pablo and Morgan, Grace G.",
year = "2016",
abstract = "Magnetic, structural and computational data of four complex salts with the same mononuclear high spin octahedral Mn(III) complex cation are reported. The manifestation of Jahn-Teller-like distortions in the Mn(III) cation is dependent on the nature of the charge-balancing anion, with small anions yielding a planar elongation and large anions freezing out a preferential axial elongation along one of the amine-Mn-imine directions within that same plane. Modulation of the lattice by changing the charge balancing anion results in mixing of the orbital symmetry due to vibrational perturbation.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Dalton Transactions",
title = "Challenges in assignment of orbital populations in a high spin manganese(III) complex",
volume = "45",
number = "15",
pages = "6702-6708",
doi = "10.1039/c5dt03914b"
}
Fitzpatrick, A. J., Stepanović, S., Mueller-Bunz, H., Gruden-Pavlović, M., Garcia-Fernandez, P.,& Morgan, G. G.. (2016). Challenges in assignment of orbital populations in a high spin manganese(III) complex. in Dalton Transactions
Royal Soc Chemistry, Cambridge., 45(15), 6702-6708.
https://doi.org/10.1039/c5dt03914b
Fitzpatrick AJ, Stepanović S, Mueller-Bunz H, Gruden-Pavlović M, Garcia-Fernandez P, Morgan GG. Challenges in assignment of orbital populations in a high spin manganese(III) complex. in Dalton Transactions. 2016;45(15):6702-6708.
doi:10.1039/c5dt03914b .
Fitzpatrick, Anthony J., Stepanović, Stepan, Mueller-Bunz, Helge, Gruden-Pavlović, Maja, Garcia-Fernandez, Pablo, Morgan, Grace G., "Challenges in assignment of orbital populations in a high spin manganese(III) complex" in Dalton Transactions, 45, no. 15 (2016):6702-6708,
https://doi.org/10.1039/c5dt03914b . .

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