Details
| Original language | English |
|---|---|
| Pages (from-to) | 143-148 |
| Number of pages | 6 |
| Journal | Hyperfine Interactions |
| Volume | 159 |
| Issue number | 1-4 |
| Publication status | Published - 11 Oct 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.
Keywords
- H NMR T, Br and I NQR, Crystal structure, Molecular motion
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
- Physics and Astronomy(all)
- Nuclear and High Energy Physics
- Physics and Astronomy(all)
- Condensed Matter Physics
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Hyperfine Interactions, Vol. 159, No. 1-4, 11.10.2005, p. 143-148.
Research output: Contribution to journal › Article › Research › peer review
}
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
UR - http://www.scopus.com/inward/record.url?scp=33645034632&partnerID=8YFLogxK
U2 - 10.1007/s10751-005-9093-4
DO - 10.1007/s10751-005-9093-4
M3 - Article
AN - SCOPUS:33645034632
VL - 159
SP - 143
EP - 148
JO - Hyperfine Interactions
JF - Hyperfine Interactions
SN - 0304-3843
IS - 1-4
ER -