Local structure of the metal-organic perovskite dimethylammonium manganese(ii) formate

Dalton Transactions : an International Journal of Inorganic Chemistry
Helen D DuncanAnthony E Phillips

Abstract

We report total neutron scattering measurements on the metal-organic perovskite analogue dimethylammonium manganese(ii) formate, (CD3)2ND2[Mn(DCO2)3]. Reverse Monte Carlo modelling shows that, in both the disordered high-temperature and ordered low-temperature phases, the ammonium moiety forms substantially shorter hydrogen bonds (N...O = 2.4 Å and 2.6 Å) than are visible in the average crystal structures. These bonds result from a pincer-like motion of two adjacent formate ions about the dimethylammonium ion in such a way that the framework can adjust independently to the positions of nearest-neighbour dimethylammonium ions. At low temperatures the shortest hydrogen bond is less favourable, apparently because it involves a greater distortion of the framework. Furthermore, in the high-temperature phase, in addition to the three disordered nitrogen positions expected from the average crystal structure, there appear to be also smaller probability maxima between these positions, corresponding to orientations in which the dimethylammonium is hydrogen-bonded to the two oxygen atoms of a single formate ion. The spontaneous strain across the phase transition reveals a contraction of the framework about the dimethylammonium cation, con...Continue Reading

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Citations

Apr 21, 2018·Physical Chemistry Chemical Physics : PCCP·Mantas ŠimėnasJūras Banys
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Mirosław MączkaJuras Banys
Aug 17, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Paul J Saines, Nicholas C Bristowe
Aug 29, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Abhishek V ChitnisNandini Garg
May 28, 2019·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Zhengqiang YangAnthony E Phillips
Aug 25, 2018·Inorganic Chemistry·Kendall D HugheyJanice L Musfeldt
Dec 9, 2017·The Journal of Physical Chemistry Letters·Katrine L SvaneKeith T Butler
Oct 30, 2020·The Journal of Physical Chemistry Letters·Zhipeng YuYongjun Tian
Oct 8, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Yinze QinMartin T Dove

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