Ishihara, Hideta ; Honda, Hisashi ; Svoboda, Ingrid ; Fuess, Hartmut (2018)
NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd).
In: Zeitschrift für Naturforschung B, 73 (9)
doi: 10.1515/znb-2018-0109
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The crystal structure of [4-C2H5-C6H4NH3](2)ZnBr4 (1) has been determined at 150(2) K: triclinic, P (1) over bar, a =724 .82(2) , b =1194.20(4), c = 1322.26(4) pm, alpha =74.151(3), beta = 80.887(3), gamma =80.434(3)degrees, and Z=2. There are two crystallographically independent cations in the unit cell of 1: one has its benzene ring perpendicular to the crystallographic a axis of the unit cell and the other one has its benzene ring perpendicular to the c axis. These cations are alternatingly located along the c axis and form organic layers, and the ZnBr4 anions form inorganic layers in between. Zn-Br center dot center dot center dot H-N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of Br-81 were observed. The temperature dependence of the Br-81 NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of C-13 nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of Br-81 NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3](2)CdBr4 (2) undergoes a structural phase transition at around 190 K.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Ishihara, Hideta ; Honda, Hisashi ; Svoboda, Ingrid ; Fuess, Hartmut |
| Art des Eintrags: | Bibliographie |
| Titel: | NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd) |
| Sprache: | Englisch |
| Publikationsjahr: | September 2018 |
| Verlag: | de Gruyter |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Zeitschrift für Naturforschung B |
| Jahrgang/Volume einer Zeitschrift: | 73 |
| (Heft-)Nummer: | 9 |
| DOI: | 10.1515/znb-2018-0109 |
| URL / URN: | https://doi.org/10.1515/znb-2018-0109 |
| Kurzbeschreibung (Abstract): | The crystal structure of [4-C2H5-C6H4NH3](2)ZnBr4 (1) has been determined at 150(2) K: triclinic, P (1) over bar, a =724 .82(2) , b =1194.20(4), c = 1322.26(4) pm, alpha =74.151(3), beta = 80.887(3), gamma =80.434(3)degrees, and Z=2. There are two crystallographically independent cations in the unit cell of 1: one has its benzene ring perpendicular to the crystallographic a axis of the unit cell and the other one has its benzene ring perpendicular to the c axis. These cations are alternatingly located along the c axis and form organic layers, and the ZnBr4 anions form inorganic layers in between. Zn-Br center dot center dot center dot H-N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of Br-81 were observed. The temperature dependence of the Br-81 NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of C-13 nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of Br-81 NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3](2)CdBr4 (2) undergoes a structural phase transition at around 190 K. |
| Freie Schlagworte: | crystal structure, hydrogen bonding, NMR spectra, NQR spectra, phase transition, zinc and cadmium complexes |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Strukturforschung |
| Hinterlegungsdatum: | 14 Sep 2020 05:45 |
| Letzte Änderung: | 14 Sep 2020 05:45 |
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