NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I)

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • Y. Furukawa
  • H. Terao
  • H. Ishihara
  • T. M. Gesing
  • J. C. Buhl

Organisationseinheiten

Externe Organisationen

  • Hiroshima University
  • Tokushima University
  • Saga University
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Details

OriginalspracheEnglisch
Seiten (von - bis)143-148
Seitenumfang6
FachzeitschriftHyperfine Interactions
Jahrgang159
Ausgabenummer1-4
PublikationsstatusVeröffentlicht - 11 Okt. 2005

Abstract

The crystal structure of [C(NH2)3] 2HgBr4 has been determined at room temperature: monoclinic, space group C2lc, with a = 10.035(2), b = 11.164(2), c = 13.358(3) Å, β = 111.67(3)°, and Z = 4. The crystal consists of planar [C(NH2)3]+ and distorted tetrahedral [HgBr 4]2- ions. The Hg atom is located on a two-fold axis such that two sets of inequivalent Br atoms exist in an [HgBr4] 2- ion. In accordance with the crystal structure, two 81Br NQR lines widely separated in frequency were observed between 77 and ca. 380 K. [C(NH2)3]2HgI4 yielded four 127I NQR lines ascribable to m = ±1/2 ↔ ±3/2 transitions, indicating that its crystal structure is different from the bromide complex. The 1H NMR T1 measurements showed a single minimum for the bromide but two minima for the iodide. The analyses based on the C3 reorientations of the planar [C(NH2)3] + ions gave the activation energies of 29.8 kJ mol-1 for the bromide, and 30.2 and 40.0 kJ mol-1 for the iodide.

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NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I). / Furukawa, Y.; Terao, H.; Ishihara, H. et al.
in: Hyperfine Interactions, Jahrgang 159, Nr. 1-4, 11.10.2005, S. 143-148.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Furukawa, Y, Terao, H, Ishihara, H, Gesing, TM & Buhl, JC 2005, 'NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I)', Hyperfine Interactions, Jg. 159, Nr. 1-4, S. 143-148. https://doi.org/10.1007/s10751-005-9093-4
Furukawa, Y., Terao, H., Ishihara, H., Gesing, T. M., & Buhl, J. C. (2005). NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I). Hyperfine Interactions, 159(1-4), 143-148. https://doi.org/10.1007/s10751-005-9093-4
Furukawa Y, Terao H, Ishihara H, Gesing TM, Buhl JC. NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I). Hyperfine Interactions. 2005 Okt 11;159(1-4):143-148. doi: 10.1007/s10751-005-9093-4
Furukawa, Y. ; Terao, H. ; Ishihara, H. et al. / NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I). in: Hyperfine Interactions. 2005 ; Jahrgang 159, Nr. 1-4. S. 143-148.
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abstract = "The crystal structure of [C(NH2)3] 2HgBr4 has been determined at room temperature: monoclinic, space group C2lc, with a = 10.035(2), b = 11.164(2), c = 13.358(3) {\AA}, β = 111.67(3)°, and Z = 4. The crystal consists of planar [C(NH2)3]+ and distorted tetrahedral [HgBr 4]2- ions. The Hg atom is located on a two-fold axis such that two sets of inequivalent Br atoms exist in an [HgBr4] 2- ion. In accordance with the crystal structure, two 81Br NQR lines widely separated in frequency were observed between 77 and ca. 380 K. [C(NH2)3]2HgI4 yielded four 127I NQR lines ascribable to m = ±1/2 ↔ ±3/2 transitions, indicating that its crystal structure is different from the bromide complex. The 1H NMR T1 measurements showed a single minimum for the bromide but two minima for the iodide. The analyses based on the C3 reorientations of the planar [C(NH2)3] + ions gave the activation energies of 29.8 kJ mol-1 for the bromide, and 30.2 and 40.0 kJ mol-1 for the iodide.",
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TY - JOUR

T1 - NQR, NMR and crystal structure studies of [C(NH2) 3]2HgX4 (X = Br, I)

AU - Furukawa, Y.

AU - Terao, H.

AU - Ishihara, H.

AU - Gesing, T. M.

AU - Buhl, J. C.

PY - 2005/10/11

Y1 - 2005/10/11

N2 - The crystal structure of [C(NH2)3] 2HgBr4 has been determined at room temperature: monoclinic, space group C2lc, with a = 10.035(2), b = 11.164(2), c = 13.358(3) Å, β = 111.67(3)°, and Z = 4. The crystal consists of planar [C(NH2)3]+ and distorted tetrahedral [HgBr 4]2- ions. The Hg atom is located on a two-fold axis such that two sets of inequivalent Br atoms exist in an [HgBr4] 2- ion. In accordance with the crystal structure, two 81Br NQR lines widely separated in frequency were observed between 77 and ca. 380 K. [C(NH2)3]2HgI4 yielded four 127I NQR lines ascribable to m = ±1/2 ↔ ±3/2 transitions, indicating that its crystal structure is different from the bromide complex. The 1H NMR T1 measurements showed a single minimum for the bromide but two minima for the iodide. The analyses based on the C3 reorientations of the planar [C(NH2)3] + ions gave the activation energies of 29.8 kJ mol-1 for the bromide, and 30.2 and 40.0 kJ mol-1 for the iodide.

AB - The crystal structure of [C(NH2)3] 2HgBr4 has been determined at room temperature: monoclinic, space group C2lc, with a = 10.035(2), b = 11.164(2), c = 13.358(3) Å, β = 111.67(3)°, and Z = 4. The crystal consists of planar [C(NH2)3]+ and distorted tetrahedral [HgBr 4]2- ions. The Hg atom is located on a two-fold axis such that two sets of inequivalent Br atoms exist in an [HgBr4] 2- ion. In accordance with the crystal structure, two 81Br NQR lines widely separated in frequency were observed between 77 and ca. 380 K. [C(NH2)3]2HgI4 yielded four 127I NQR lines ascribable to m = ±1/2 ↔ ±3/2 transitions, indicating that its crystal structure is different from the bromide complex. The 1H NMR T1 measurements showed a single minimum for the bromide but two minima for the iodide. The analyses based on the C3 reorientations of the planar [C(NH2)3] + ions gave the activation energies of 29.8 kJ mol-1 for the bromide, and 30.2 and 40.0 kJ mol-1 for the iodide.

KW - H NMR T

KW - Br and I NQR

KW - Crystal structure

KW - Molecular motion

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