Challenges in assignment of orbital populations in a high spin manganese(III) complex
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 recordAbstract
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, 6702-6708Publisher:
- 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
Collections
Institution/Community
IHTMTY - 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 . .