DOI: 10.1063/1.1703228. Polyhedral Clathrate Hydrates. IX. Structure of Ethylene Oxide Hydrate

Polyhedral Clathrate Hydrates. IX. Structure of Ethylene Oxide Hydrate

10.1063/1.1703228

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A detailed single-crystal structure analysis is reported for ethylene oxide hydrate. This confirms the polyhedral host lattice formed by 46 hydrogen-bonded water molecules in a cubic unit cell of 12.03 Å with space-group symmetry Pm3n. Disordered ethylene oxide molecules occupy the six equivalent tetrakaidecahedral cavities, and their electron-density distribution suggests that they are hindered axial rotors. Additional guest molecules, either ethylene oxide, oxygen, or nitrogen molecules occupy the two dodecahedral cavities with high disorder and low statistical weight. The compound is therefore nonstoichiometric having the limiting formula 2M·6C2H4O·46H2O, in which the percentage of M is variable. If M is assumed to be entirely ethylene oxide, as is likely from the method of preparation, the composition of the crystals obtained from an equilibrated aqueous solution of 8 mole % ethylene oxide at 9°C is 6.4C2H4O·46H2O.

Bibliography

McMullan, R. K., & Jeffrey, G. A. (1965). Polyhedral Clathrate Hydrates. IX. Structure of Ethylene Oxide Hydrate. The Journal of Chemical Physics, 42(8), 2725â2732.

Authors 2

Richard K. McMullan (first)
G. A. Jeffrey (additional)

References 29 Referenced 450

10.1063/1.1730574 / J. Chem. Phys. (1959)
10.1063/1.1732990 / J. Chem. Phys. (1962)
10.1063/1.1734193 / J. Chem. Phys. (1963)
10.1063/1.1732991 / J. Chem. Phys. (1962)
{'key': '2024020823364408400_r3', 'first-page': '71', 'volume': '15', 'year': '1823', 'journal-title': 'Quart. J. Sci. Lit. Arts'} / Quart. J. Sci. Lit. Arts (1823)
10.1073/pnas.38.2.112 / Proc. Natl. Acad. Sci. U.S. (1952)
{'key': '2024020823364408400_r4', 'first-page': '1319', 'volume': '19', 'year': '1951', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1951)
{'key': '2024020823364408400_r4a', 'first-page': '25', 'volume': '58', 'year': '1954', 'journal-title': 'Z. Electrochem.'} / Z. Electrochem. (1954)
{'key': '2024020823364408400_r5', 'first-page': '1709', 'volume': '43', 'year': '1922', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. (1922)
{'key': '2024020823364408400_r5a', 'first-page': '344', 'volume': '52', 'year': '1922', 'journal-title': 'Gazz. Chim. Ital.'} / Gazz. Chim. Ital. (1922)
{'key': '2024020823364408400_r5b', 'first-page': '115', 'volume': '31', 'year': '1950', 'journal-title': 'Proc. Oklahoma Acad. Sci.'} / Proc. Oklahoma Acad. Sci. (1950)
10.1039/CT8936300001 / Trans. Chem. Soc. (1893)
{'key': '2024020823364408400_r7', 'first-page': '130', 'volume': '62', 'year': '1958', 'journal-title': 'Z. Electrochem.'} / Z. Electrochem. (1958)
10.1063/1.1703229 / J. Chem. Phys. (1965)
{'key': '2024020823364408400_r9', 'first-page': '922', 'volume': '201', 'year': '1964', 'journal-title': 'Nature'} / Nature (1964)
10.1063/1.1725032 / J. Chem. Phys. (1964)
{'key': '2024020823364408400_r11'}
10.1063/1.1718340 / Rev. Sci. Instr. (1963)
10.1107/S0365110X54002265 / Acta Cryst. (1954)
{'key': '2024020823364408400_r13a', 'first-page': '819', 'volume': '9', 'year': '1956', 'journal-title': 'Acta Crystallogr.'} / Acta Crystallogr. (1956)
10.1107/S0365110X60000625 / Acta Cryst. (1960)
{'key': '2024020823364408400_r15'}
10.1021/ja01851a069 / J. Am. Chem. Soc. (1941)
{'key': '2024020823364408400_r17'}
{'key': '2024020823364408400_r18'}
{'key': '2024020823364408400_r19'}
{'key': '2024020823364408400_r20', 'first-page': '40', 'volume': '58', 'year': '1954', 'journal-title': 'Z. Electrochem.'} / Z. Electrochem. (1954)
{'key': '2024020823364408400_r20a'}
10.1063/1.1725970 / J. Chem. Phys. (1964)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 10, 2005, 10:16 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 6:36 p.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 1:29 p.m.)
Issued	60 years, 4 months ago (April 15, 1965)
Published	60 years, 4 months ago (April 15, 1965)
Published Print	60 years, 4 months ago (April 15, 1965)

Funders 0

None

BibTeX

@article{McMullan_1965, title={Polyhedral Clathrate Hydrates. IX. Structure of Ethylene Oxide Hydrate}, volume={42}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1703228}, DOI={10.1063/1.1703228}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={McMullan, Richard K. and Jeffrey, G. A.}, year={1965}, month=apr, pages={2725–2732} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        2
      ]
    ],
    "date-time": "2025-07-02T17:29:58Z",
    "timestamp": 1751477398605
  },
  "reference-count": 29,
  "publisher": "AIP Publishing",
  "issue": "8",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1965,
        4,
        15
      ]
    ]
  },
  "abstract": "<jats:p>A detailed single-crystal structure analysis is reported for ethylene oxide hydrate. This confirms the polyhedral host lattice formed by 46 hydrogen-bonded water molecules in a cubic unit cell of 12.03 \u00c5 with space-group symmetry Pm3n. Disordered ethylene oxide molecules occupy the six equivalent tetrakaidecahedral cavities, and their electron-density distribution suggests that they are hindered axial rotors. Additional guest molecules, either ethylene oxide, oxygen, or nitrogen molecules occupy the two dodecahedral cavities with high disorder and low statistical weight. The compound is therefore nonstoichiometric having the limiting formula 2M\u00b76C2H4O\u00b746H2O, in which the percentage of M is variable. If M is assumed to be entirely ethylene oxide, as is likely from the method of preparation, the composition of the crystals obtained from an equilibrated aqueous solution of 8 mole % ethylene oxide at 9\u00b0C is 6.4C2H4O\u00b746H2O.</jats:p>",
  "DOI": "10.1063/1.1703228",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2005,
        1,
        10
      ]
    ],
    "date-time": "2005-01-10T15:16:30Z",
    "timestamp": 1105370190000
  },
  "page": "2725-2732",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 450,
  "title": "Polyhedral Clathrate Hydrates. IX. Structure of Ethylene Oxide Hydrate",
  "prefix": "10.1063",
  "volume": "42",
  "author": [
    {
      "given": "Richard K.",
      "family": "McMullan",
      "sequence": "first",
      "affiliation": [
        {
          "name": "The Crystallography Laboratory, The University of Pittsburgh, Pittsburgh, Pennsylvania"
        }
      ]
    },
    {
      "given": "G. A.",
      "family": "Jeffrey",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "The Crystallography Laboratory, The University of Pittsburgh, Pittsburgh, Pennsylvania"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020823364408400_r1",
      "doi-asserted-by": "crossref",
      "first-page": "1231",
      "DOI": "10.1063/1.1730574",
      "volume": "31",
      "year": "1959",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r1a",
      "doi-asserted-by": "crossref",
      "first-page": "2219",
      "DOI": "10.1063/1.1732990",
      "volume": "37",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r1b",
      "doi-asserted-by": "crossref",
      "first-page": "3295",
      "DOI": "10.1063/1.1734193",
      "volume": "39",
      "year": "1963",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r2",
      "doi-asserted-by": "crossref",
      "first-page": "2231",
      "DOI": "10.1063/1.1732991",
      "volume": "37",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r3",
      "first-page": "71",
      "volume": "15",
      "year": "1823",
      "journal-title": "Quart. J. Sci. Lit. Arts"
    },
    {
      "key": "2024020823364408400_r3a",
      "doi-asserted-by": "crossref",
      "first-page": "112",
      "DOI": "10.1073/pnas.38.2.112",
      "volume": "38",
      "year": "1952",
      "journal-title": "Proc. Natl. Acad. Sci. U.S."
    },
    {
      "key": "2024020823364408400_r4",
      "first-page": "1319",
      "volume": "19",
      "year": "1951",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r4a",
      "first-page": "25",
      "volume": "58",
      "year": "1954",
      "journal-title": "Z. Electrochem."
    },
    {
      "key": "2024020823364408400_r5",
      "first-page": "1709",
      "volume": "43",
      "year": "1922",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024020823364408400_r5a",
      "first-page": "344",
      "volume": "52",
      "year": "1922",
      "journal-title": "Gazz. Chim. Ital."
    },
    {
      "key": "2024020823364408400_r5b",
      "first-page": "115",
      "volume": "31",
      "year": "1950",
      "journal-title": "Proc. Oklahoma Acad. Sci."
    },
    {
      "key": "2024020823364408400_r6",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1039/CT8936300001",
      "volume": "63",
      "year": "1893",
      "journal-title": "Trans. Chem. Soc."
    },
    {
      "key": "2024020823364408400_r7",
      "first-page": "130",
      "volume": "62",
      "year": "1958",
      "journal-title": "Z. Electrochem."
    },
    {
      "key": "2024020823364408400_r8",
      "doi-asserted-by": "crossref",
      "first-page": "2732",
      "DOI": "10.1063/1.1703229",
      "volume": "42",
      "year": "1965",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r9",
      "first-page": "922",
      "volume": "201",
      "year": "1964",
      "journal-title": "Nature"
    },
    {
      "key": "2024020823364408400_r10",
      "doi-asserted-by": "crossref",
      "first-page": "3449",
      "DOI": "10.1063/1.1725032",
      "volume": "40",
      "year": "1964",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020823364408400_r11"
    },
    {
      "key": "2024020823364408400_r12",
      "doi-asserted-by": "crossref",
      "first-page": "300",
      "DOI": "10.1063/1.1718340",
      "volume": "34",
      "year": "1963",
      "journal-title": "Rev. Sci. Instr."
    },
    {
      "key": "2024020823364408400_r13",
      "doi-asserted-by": "crossref",
      "first-page": "746",
      "DOI": "10.1107/S0365110X54002265",
      "volume": "7",
      "year": "1954",
      "journal-title": "Acta Cryst."
    },
    {
      "key": "2024020823364408400_r13a",
      "first-page": "819",
      "volume": "9",
      "year": "1956",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "2024020823364408400_r14",
      "doi-asserted-by": "crossref",
      "first-page": "273",
      "DOI": "10.1107/S0365110X60000625",
      "volume": "13",
      "year": "1960",
      "journal-title": "Acta Cryst."
    },
    {
      "key": "2024020823364408400_r15"
    },
    {
      "key": "2024020823364408400_r16",
      "doi-asserted-by": "crossref",
      "first-page": "1737",
      "DOI": "10.1021/ja01851a069",
      "volume": "63",
      "year": "1941",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024020823364408400_r17"
    },
    {
      "key": "2024020823364408400_r18"
    },
    {
      "key": "2024020823364408400_r19"
    },
    {
      "key": "2024020823364408400_r20",
      "first-page": "40",
      "volume": "58",
      "year": "1954",
      "journal-title": "Z. Electrochem."
    },
    {
      "key": "2024020823364408400_r20a"
    },
    {
      "key": "2024020823364408400_r21",
      "doi-asserted-by": "crossref",
      "first-page": "840",
      "DOI": "10.1063/1.1725970",
      "volume": "41",
      "year": "1964",
      "journal-title": "J. Chem. Phys."
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/42/8/2725/18837525/2725_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/42/8/2725/18837525/2725_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        8
      ]
    ],
    "date-time": "2024-02-08T23:36:57Z",
    "timestamp": 1707435417000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/42/8/2725/210314/Polyhedral-Clathrate-Hydrates-IX-Structure-of"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1965,
        4,
        15
      ]
    ]
  },
  "references-count": 29,
  "journal-issue": {
    "issue": "8",
    "published-print": {
      "date-parts": [
        [
          1965,
          4,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1703228",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1965,
        4,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1965,
        4,
        15
      ]
    ]
  }
}