Startseite NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)
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NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)

  • Hideta Ishihara EMAIL logo , Hisashi Honda , Ingrid Svoboda und Hartmut Fuess
Veröffentlicht/Copyright: 8. August 2018
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Zeitschrift für Naturforschung B
Aus der Zeitschrift Zeitschrift für Naturforschung B Band 73 Heft 9

Abstract

The crystal structure of [4-C2H5-C6H4NH3]2ZnBr4 (1) has been determined at 150(2) K: triclinic, P1̅, a=724.82(2), b=1194.20(4), c=1322.26(4) pm, α=74.151(3), β=80.887(3), γ=80.434(3)°, 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···H–N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of 81Br were observed. The temperature dependence of the 81Br NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of 13C nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of 81Br NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3]2CdBr4 (2) undergoes a structural phase transition at around 190 K.

Keywords: crystal structure; hydrogen bonding; NMR spectra; NQR spectra; phase transition; zinc and cadmium complexes

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Received: 2018-05-31
Accepted: 2018-07-04
Published Online: 2018-08-08
Published in Print: 2018-09-25

©2018 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. In this Issue
  3. NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)
  4. Ein ökonomisches Verfahren zur Aufarbeitung von Reaktionsgemischen bei Lewis-Säure-induzierten elektrophilen Aromatensubstitutionen
  5. Orthoamide und Iminiumsalze, XCIVa. Kondensationsreaktion von Orthoamiden von Alkincarbonsäuren mit 2-Methyl-5-phenacyl-1,3,4-thiadiazolen
  6. Highly effectual synthesis of 4,6-diarylpyrimidin-2(1H)-ones using N,N,N′,N′-tetramethylethylenediaminium-N,N′-disulfonic acid hydrogen sulfate as a dual-functional catalyst
  7. Efficient synthesis of pyrido[2,3-d]pyrimidine-7-carboxylic acids catalyzed by a TiO2/SiO2 nanocomposite in aqueous media at room temperature
  8. Synthesis, characterization, and antitumor activity of some novel S-functionalized benzo[d]thiazole-2-thiol derivatives; regioselective coupling to the –SH group
  9. A zinc(II) coordination polymer containing single- and double-stranded helical chains: synthesis, crystal structure, and thermal and luminescence properties
  10. An unexpected lanthanum chloride carbonate hydrate: synthesis, crystal structure, vibrational spectra and thermal degradation of LaCl[CO3]·3H2O
  11. Structures of the diiodine adducts of bis(diisopropylphosphano)methane disulfide and bis(diisopropylphosphano)ethane disulfide
  12. Note
  13. Photoluminescence of Baltic amber
https://doi.org/10.1515/znb-2018-0109
Schlagwörter für diesen Artikel
crystal structure; hydrogen bonding; NMR spectra; NQR spectra; phase transition; zinc and cadmium complexes

Artikel in diesem Heft

  1. Frontmatter
  2. In this Issue
  3. NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)
  4. Ein ökonomisches Verfahren zur Aufarbeitung von Reaktionsgemischen bei Lewis-Säure-induzierten elektrophilen Aromatensubstitutionen
  5. Orthoamide und Iminiumsalze, XCIVa. Kondensationsreaktion von Orthoamiden von Alkincarbonsäuren mit 2-Methyl-5-phenacyl-1,3,4-thiadiazolen
  6. Highly effectual synthesis of 4,6-diarylpyrimidin-2(1H)-ones using N,N,N′,N′-tetramethylethylenediaminium-N,N′-disulfonic acid hydrogen sulfate as a dual-functional catalyst
  7. Efficient synthesis of pyrido[2,3-d]pyrimidine-7-carboxylic acids catalyzed by a TiO2/SiO2 nanocomposite in aqueous media at room temperature
  8. Synthesis, characterization, and antitumor activity of some novel S-functionalized benzo[d]thiazole-2-thiol derivatives; regioselective coupling to the –SH group
  9. A zinc(II) coordination polymer containing single- and double-stranded helical chains: synthesis, crystal structure, and thermal and luminescence properties
  10. An unexpected lanthanum chloride carbonate hydrate: synthesis, crystal structure, vibrational spectra and thermal degradation of LaCl[CO3]·3H2O
  11. Structures of the diiodine adducts of bis(diisopropylphosphano)methane disulfide and bis(diisopropylphosphano)ethane disulfide
  12. Note
  13. Photoluminescence of Baltic amber
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