Single-Crystal X-Ray Diffraction Study of Na[OCN] at 170 K and its Vibrational Spectra

被引：12
|
作者：
Reckeweg, Olaf [1 ]
Schulz, Armin [2 ]
Leonard, Brian [1 ]
DiSalvo, Francis J. [1 ]
机构：
[1] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA
[2] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES | 2010年 / 65卷 / 04期
关键词：
Sodium; Cyanate; Disordered Anion; Structure Elucidation; Vibrational Spectroscopy; NEUTRON-DIFFRACTION; SODIUM; AZIDE; TEMPERATURE;
D O I：
10.1515/znb-2010-0416
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The unit cell of Na[OC] has been determined on single crystals at 170 K to have rhombohedral symmetry with the lattice parameters a = 356.79(10) and c = 1512.3(5) pm (hexagonal setting). According to the only model for which a converging refinement could be achieved. Na[OCN] crystallizes isopointal to beta-NaN(3) in the space group R (3) over barm (no. 166, Z = 3) with a statistically disordered [OCN](-) anion. The positional coordinates and displacement parameters could not be separated for the O and N end atoms of the triatomic anion. The vibrational spectra show the frequencies typical for an [OCN](-) moiety with Fermi resonance between the 25 and the v(sym) vibrations for which the undisturbed frequencies were calculated.
引用
收藏
页码：528 / 532
页数：5
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