DOI: 10.1063/1.1679467. Single crystal neutron diffraction study of sodium cyanide

Single crystal neutron diffraction study of sodium cyanide

10.1063/1.1679467

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The neutron diffraction pattern of a single crystal of cubic NaCN has been measured at 295°K. These data and earlier results for KCN at 180 and 295°K have been analyzed in terms of a model which expands the angular distribution of CN− orientations in symmetry-adapted spherical harmonics. From this analysis, the distributions of CN− in these crystals have been derived, and these indicate a monotonic trend in the series KCN (295°K) thru KCN (180°K) to NaCN (295°K) involving a shift in preferential orientation from the [111] toward the [100] directions in the crystal. Unusually large translational Debye-Waller factors have also been derived for NaCN and KCN from the fitting procedure, in agreement with earlier results and analysis on KCN. In addition, an average C≡N bond distance of 1.18 Å is obtained.

Bibliography

Rowe, J. M., Hinks, D. G., Price, D. L., Susman, S., & Rush, J. J. (1973). Single crystal neutron diffraction study of sodium cyanide. The Journal of Chemical Physics, 58(5), 2039â2042.

Authors 5

J. M. Rowe (first)
D. G. Hinks (additional)
D. L. Price (additional)
S. Susman (additional)
J. J. Rush (additional)

References 18 Referenced 127

10.1063/1.1677749 / J. Chem. Phys. (1972)
{'key': '2024020909582154500_r2', 'first-page': '201', 'volume': '100', 'year': '1938', 'journal-title': 'Z. Kristallogr.'} / Z. Kristallogr. (1938)
10.1002/recl.19400590911 / Rec. Trav. Chem. Pays-Bas (1940)
10.1107/S0365110X61002977 / Acta Crystallogr. (1961)
10.1107/S0365110X65000622 / Acta Crystallogr. (1965)
10.1063/1.1675375 / J. Chem. Phys. (1971)
10.1021/ja01855a058 / J. Am. Chem. Soc. (1941)
10.1246/bcsj.38.1115 / Bull. Chem. Soc. Jap. (1965)
10.1246/bcsj.41.583 / Bull. Chem. Soc. Jpn. (1968)
{'key': '2024020909582154500_r9', 'first-page': '74', 'volume': '238', 'year': '1954', 'journal-title': 'Compt. Rendu'} / Compt. Rendu (1954)
10.1063/1.1725016 / J. Chem. Phys. (1964)
{'key': '2024020909582154500_r11'}
{'key': '2024020909582154500_r12', 'first-page': '1487', 'volume': 'B26', 'year': '1970', 'journal-title': 'Acta Crystallogr.'} / Acta Crystallogr. (1970)
10.1016/0022-0248(72)90122-4 / J. Cryst. Growth (1972)
10.1103/RevModPhys.37.19 / Rev. Mod. Phys. (1965)
10.1103/PhysRev.131.1025 / Phys. Rev. (1963)
{'key': '2024020909582154500_r16'}
10.1063/1.1675680 / J. Chem. Phys. (1971)

Dates

Type	When
Created	21 years, 7 months ago (Feb. 4, 2004, 5:30 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 5:58 a.m.)
Indexed	5 months, 1 week ago (March 22, 2025, 4:43 a.m.)
Issued	52 years, 6 months ago (March 1, 1973)
Published	52 years, 6 months ago (March 1, 1973)
Published Print	52 years, 6 months ago (March 1, 1973)

Funders 0

None

BibTeX

@article{Rowe_1973, title={Single crystal neutron diffraction study of sodium cyanide}, volume={58}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1679467}, DOI={10.1063/1.1679467}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Rowe, J. M. and Hinks, D. G. and Price, D. L. and Susman, S. and Rush, J. J.}, year={1973}, month=mar, pages={2039–2042} }

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