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Open AccessArticle

Tris(2-Methoxyphenyl)Bismuthine Polymorphism Characterized by Nuclear Quadrupole Resonance Spectroscopy

1
Institute of Medical Engineering, Graz University of Technology, Stremayrgasse 16, 8010 Graz, Austria
2
Institute of Inorganic Chemistry, Graz University of Technology, Stremayrgasse 9, 8010 Graz, Austria
3
Institute of Organic Chemistry, Graz University of Technology, Stremayrgasse 9, 8010 Graz, Austria
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(9), 446; https://doi.org/10.3390/cryst9090446
Received: 25 July 2019 / Revised: 22 August 2019 / Accepted: 24 August 2019 / Published: 28 August 2019
(This article belongs to the Special Issue NQR of Polymorphic Crystals)
Based on the previous identification of metastable polymorphs in crystalline triphenylbismuth by nuclear quadrupole resonance spectroscopy (NQRS), the potential formation of similar phases was studied in Tris(2-Methoxyphenyl)Bismuthine. To this end, commercial samples with known NQRS properties were molten and re-crystallized at different speeds (shock freezing in different coolants versus slow cooling inside of a heater). In all recrystallization products we have identified a new crystal phase which has not been observed after synthesis from a solution. The new crystallographic structure has been confirmed by X-ray diffraction (XRD). The newly isolated polymorph crystallizes in the monoclinic space group P2(1)/c with only one molecule in the asymmetric unit and consequently only one 5/2-7/2 transition is observed at 88.75 MHz at 310 K. In contrast, the two transitions at 89.38 and 89.29 MHz for the well-known trigonal polymorph originate from two crystallographically distinct molecules of Tris(2-methoxy-Phenyl)Bismuthine in the asymmetric unit. Additional relaxometric NQRS shows distinctly different T2 relaxation times for the new polymorph when compared to the original samples. Additional phase transitions could not be observed during temperature sweeps between 153 K and 323 K. View Full-Text
Keywords: nuclear quadrupole resonance spectroscopy; Tris(2-Methoxyphenyl)Bismuthine; polymorphs; recrystallization; melting; x-ray diffractometry nuclear quadrupole resonance spectroscopy; Tris(2-Methoxyphenyl)Bismuthine; polymorphs; recrystallization; melting; x-ray diffractometry
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Scharfetter, H.; Fischer, R.; Krassnig, P.; Thonhofer, M.; Theyer, F.; Gösweiner, C. Tris(2-Methoxyphenyl)Bismuthine Polymorphism Characterized by Nuclear Quadrupole Resonance Spectroscopy. Crystals 2019, 9, 446.

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