DOI: 10.1063/1.1725553. Intermolecular Forces and the Space Group of Solid Chlorine

Intermolecular Forces and the Space Group of Solid Chlorine

10.1063/1.1725553

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Use of the 6:12 potential for Cl2, and presumably for other halogen molecules, shows that the observed orthorhombic Cmca space group in which they crystallize is not that predicted; both the cubic Pa3 and the hexagonal P6̄m2 would be more stable crystal structures. A molecular model is discussed in which, compared to the free halogen atoms, the molecule has, in addition to concentration of charge at its center, a charge concentration at its outer ends. This model correctly predicts the Cmca space group and the orientation of the molecules in the unit cell. The calculations also show why certain other simple molecules crystallize in Pa3.

Bibliography

Nyburg, S. C. (1964). Intermolecular Forces and the Space Group of Solid Chlorine. The Journal of Chemical Physics, 40(9), 2493â2501.

Authors 1

S. C. Nyburg (first)

References 27 Referenced 35

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{'key': '2024020822375467900_r2', 'first-page': '508', 'volume': 'A221', 'year': '1954', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1954)
10.1016/S0031-8914(54)80267-9 / Physica (1954)
{'key': '2024020822375467900_r4', 'first-page': '83', 'volume': '21', 'year': '1955', 'journal-title': 'Physica'} / Physica (1955)
10.1039/qr9591300183 / Quart. Rev. London (1959)
10.1107/S0365110X52001295 / Acta Cryst. (1952)
{'key': '2024020822375467900_r6a', 'first-page': '537', 'volume': '9', 'year': '1956', 'journal-title': 'Acta Cryst.'} / Acta Cryst. (1956)
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{'key': '2024020822375467900_r12'}
{'key': '2024020822375467900_r13', 'first-page': '507', 'volume': '6', 'year': '1961', 'journal-title': 'Kristallografiya'} / Kristallografiya (1961)
{'key': '2024020822375467900_r13a', 'first-page': '408', 'volume': '6', 'year': '1962', 'journal-title': 'Soviet Phys.-Cryst.'} / Soviet Phys.-Cryst. (1962)
{'key': '2024020822375467900_r14', 'first-page': '636', 'volume': 'A107', 'year': '1925', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1925)
{'key': '2024020822375467900_r15'}
{'key': '2024020822375467900_r16', 'first-page': '62', 'volume': '68', 'year': '1947', 'journal-title': 'J. Chem. Soc. Japan Pure Chem. Sec.'} / J. Chem. Soc. Japan Pure Chem. Sec. (1947)
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{'key': '2024020822375467900_r21b'}
{'key': '2024020822375467900_r22'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 11:03 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 5:38 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 7:57 p.m.)
Issued	61 years, 4 months ago (May 1, 1964)
Published	61 years, 4 months ago (May 1, 1964)
Published Print	61 years, 4 months ago (May 1, 1964)

Funders 0

None

BibTeX

@article{Nyburg_1964, title={Intermolecular Forces and the Space Group of Solid Chlorine}, volume={40}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1725553}, DOI={10.1063/1.1725553}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Nyburg, S. C.}, year={1964}, month=may, pages={2493–2501} }

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