A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods

S. Khanra; K. Kuepper; T. Weyhermüller; M. Prinz; M. Raekers; S. Voget; A.V. Postnikov; F.M.F. de Groot; S.J. George; M. Coldea; M. Neumann; Phalguni Chaudhuri

doi:10.1021/ic7023007

A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods

S. Khanra, K. Kuepper, T. Weyhermüller, M. Prinz, M. Raekers, S. Voget, A.V. Postnikov, F.M.F. de Groot, S.J. George, M. Coldea, M. Neumann, Phalguni Chaudhuri

Dep Scheikunde

extern

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII 4O6 core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 μB/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations.

Original language	English
Pages (from-to)	4605-4617
Number of pages	15
Journal	Inorganic Chemistry
Volume	47
Issue number	11
DOIs	https://doi.org/10.1021/ic7023007
Publication status	Published - 2008

Access to Document

10.1021/ic7023007

4
Open Access (free)
Final published version, 554 KB

Cite this

Khanra, S., Kuepper, K., Weyhermüller, T., Prinz, M., Raekers, M., Voget, S., Postnikov, A. V., de Groot, F. M. F., George, S. J., Coldea, M., Neumann, M., & Chaudhuri, P. (2008). A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods. Inorganic Chemistry, 47(11), 4605-4617. https://doi.org/10.1021/ic7023007

@article{9747eb936327439d84ffa0600294d312,

title = "A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods",

abstract = "We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII 4O6 core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 μB/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations.",

author = "S. Khanra and K. Kuepper and T. Weyherm{\"u}ller and M. Prinz and M. Raekers and S. Voget and A.V. Postnikov and {de Groot}, F.M.F. and S.J. George and M. Coldea and M. Neumann and Phalguni Chaudhuri",

year = "2008",

doi = "10.1021/ic7023007",

language = "English",

volume = "47",

pages = "4605--4617",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "11",

}

Khanra, S, Kuepper, K, Weyhermüller, T, Prinz, M, Raekers, M, Voget, S, Postnikov, AV, de Groot, FMF, George, SJ, Coldea, M, Neumann, M & Chaudhuri, P 2008, 'A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods', Inorganic Chemistry, vol. 47, no. 11, pp. 4605-4617. https://doi.org/10.1021/ic7023007

TY - JOUR

T1 - A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods

AU - Khanra, S.

AU - Kuepper, K.

AU - Weyhermüller, T.

AU - Prinz, M.

AU - Raekers, M.

AU - Voget, S.

AU - Postnikov, A.V.

AU - de Groot, F.M.F.

AU - George, S.J.

AU - Coldea, M.

AU - Neumann, M.

AU - Chaudhuri, Phalguni

PY - 2008

Y1 - 2008

N2 - We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII 4O6 core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 μB/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations.

AB - We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII 4O6 core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 μB/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations.

U2 - 10.1021/ic7023007

DO - 10.1021/ic7023007

M3 - Article

SN - 0020-1669

VL - 47

SP - 4605

EP - 4617

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 11

ER -

A star-shaped molecule of MnII4O6 core with an St = 10 high spin state : a theoretical and experimental study with XPS, XMCD, and other magnetic methods

Abstract

Access to Document

Fingerprint

Cite this