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

Fitzpatrick, Anthony J.; Stepanović, Stepan; Mueller-Bunz, Helge; Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Morgan, Grace G.

doi:10.1039/c5dt03914b

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)

Metadata

Show full item record

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

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 . .