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

页码：528 / 532

页数：5

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