DOI: 10.1021/jp970580v. Single-Crystal Structure and Electron Density Distribution of Ammonia at 160 K on the Basis of X-ray Diffraction Data

Single-Crystal Structure and Electron Density Distribution of Ammonia at 160 K on the Basis of X-ray Diffraction Data

10.1021/jp970580v

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Boese, R., NiederprÃ¼m, N., BlÃ¤ser, D., Maulitz, A., Antipin, M. Yu., & Mallinson, P. R. (1997). Single-Crystal Structure and Electron Density Distribution of Ammonia at 160 K on the Basis of X-ray Diffraction Data. The Journal of Physical Chemistry B, 101(30), 5794â5799.

Authors 6

Roland Boese (first)
Norbert Niederprüm (additional)
Dieter Bläser (additional)
Andreas Maulitz (additional)
Mikhael Yu. Antipin (additional)
Paul R. Mallinson (additional)

References 39 Referenced 68

{'key': 'jp970580vb00001/jp970580vb00001_1', 'first-page': '365', 'volume': '164', 'author': 'Wiberg K. B.', 'year': '1988', 'journal-title': 'J. Mol. Struct.'} / J. Mol. Struct. by Wiberg K. B. (1988)
10.1016/0009-2614(83)80661-7 / Chem. Phys. Lett. by Politzer P. (1983)
{'key': 'jp970580vb00003/jp970580vb00003_1', 'first-page': '5557', 'volume': '68', 'author': 'Rhighini R.', 'year': '1978', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Rhighini R. (1978)
10.1016/0022-2860(87)80076-5 / J. Mol. Struct. by Brink G. (1987)
10.1021/j100043a023 / J. Phys. Chem. by Novoa J. J. (1995)
10.1021/j100017a032 / J. Phys. Chem. by Platts J. A. (1995)
10.1021/j100293a009 / J. Phys. Chem. by Taurian O. E. (1987)
{'key': 'jp970580vb00008/jp970580vb00008_1', 'first-page': '162', 'volume': '102', 'author': 'Suter H. U.', 'year': '1993', 'journal-title': 'J. Mol. Struct. (THEOCHEM)'} / J. Mol. Struct. (THEOCHEM) by Suter H. U. (1993)
10.1021/jp952330p / J. Phys. Chem. by Aray Y. (1996)
10.1016/0166-1280(95)04333-8 / J. Mol. Struct. (THEOCHEM) by Finley J. W. (1995)
{'key': 'jp970580vb00011/jp970580vb00011_1', 'first-page': '6324', 'volume': '100', 'author': 'Wang J.', 'year': '1996', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. by Wang J. (1996)
{'key': 'jp970580vb00012/jp970580vb00012_1', 'first-page': '836', 'volume': '12', 'author': 'Olovsson J.', 'year': '1959', 'journal-title': 'Acta Crystallogr.'} / Acta Crystallogr. by Olovsson J. (1959)
{'key': 'jp970580vb00013/jp970580vb00013_1', 'first-page': '1737', 'volume': '35', 'author': 'Reed J. W.', 'year': '1961', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Reed J. W. (1961)
{'key': 'jp970580vb00014/jp970580vb00014_1', 'first-page': '571', 'volume': '35', 'author': 'Hewat A. W.', 'year': '1979', 'journal-title': 'Acta Crystallogr. Ser. A'} / Acta Crystallogr. Ser. A by Hewat A. W. (1979)
10.1146/annurev.pc.43.100192.003311 / Annu. Rev. Phys. Chem. by Coppens P. (1992)
The Application of Charge Density Research to Chemistry and Drug Design; Jeffrey, G. A., Piniela, J. F., Eds.; NATO ASI Series; Plenum Press: New York, 1991; Vol. 250, 409 pp.
Coulson, C. A.Valence; Oxford University Press: London, 1952.
{'key': 'jp970580vb00018/jp970580vb00018_1', 'volume-title': 'The VSEPR Model of Molecular Geometry', 'author': 'Gillespie R. J.', 'year': '1991'} / The VSEPR Model of Molecular Geometry by Gillespie R. J. (1991)
10.1107/S0567739478001886 / Acta Crystallogr. Ser. A by Hansen N. K. (1978)
10.1007/978-1-4615-3700-7_4 / The Application of Charge Density Research to Chemistry and Drug Design by Stewart R. (1991)
{'key': 'jp970580vb00022/jp970580vb00022_1', 'volume-title': 'Atoms in Molecules:\u2009 A Quantum Theory', 'author': 'Bader R. F. W.', 'year': '1991'} / Atoms in Molecules: A Quantum Theory by Bader R. F. W. (1991)
{'key': 'jp970580vb00023/jp970580vb00023_1', 'volume-title': 'Theoretical Models of Chemical Bonding, Part 2. The Concept of the Chemical Bond', 'author': 'Kraka E.', 'year': '1990'} / Theoretical Models of Chemical Bonding, Part 2. The Concept of the Chemical Bond by Kraka E. (1990)
10.1107/S0108768194011407 / Acta Crystallogr. Ser. B by Howard S. T. (1995)
10.1016/0166-1280(92)85022-D / J. Mol. Struct. (THEOCHEM) by Gatti C. (1992)
{'key': 'jp970580vb00026/jp970580vb00026_1', 'first-page': '59', 'volume': '51', 'author': 'Destro R.', 'year': '1995', 'journal-title': 'Acta Crystallogr. Ser. B'} / Acta Crystallogr. Ser. B by Destro R. (1995)
{'key': 'jp970580vb00027/jp970580vb00027_1', 'first-page': '10553', 'volume': '100', 'author': 'Koritsanzky T.', 'year': '1996', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. by Koritsanzky T. (1996)
{'key': 'jp970580vb00028/jp970580vb00028_1', 'first-page': '676', 'volume': '52', 'author': 'Yufit D. S.', 'year': '1996', 'journal-title': 'Acta Crystallogr. Ser. B'} / Acta Crystallogr. Ser. B by Yufit D. S. (1996)
10.1021/j100025a013 / J. Phys. Chem. by Flensburg C. (1995)
10.1139/v96-129 / Can. J. Chem. by Roversi P. (1996)
10.1107/S002188988501038X / J. Appl. Crystallogr. by Brodalla D. (1985)
10.1107/S0567740873002967 / Acta Crystallogr. Ser. B by Dunitz J. D. (1973)
{'key': 'jp970580vb00033/jp970580vb00033_1', 'volume-title': 'Version', 'author': 'Koritsanszky T.', 'year': '1995'} / Version by Koritsanszky T. (1995)
10.1016/0022-2852(71)90280-3 / J. Mol. Spectrosc. by Helminger P. (1971)
{'key': 'jp970580vb00035/jp970580vb00035_1', 'volume-title': 'Handbook of Chemistry and Physics', 'author': 'Lide D. R.', 'year': '1991', 'edition': '72'} / Handbook of Chemistry and Physics by Lide D. R. (1991)
10.1021/ar950207a / Acc. Chem. Res. by Wiberg K. B. (1996)
10.1002/ijch.196400026 / Israel J. Chem. by Hirshfeld F. L. (1964)
10.1021/cr00016a005 / Chem. Rev. by Spackman M. (1992)
{'key': 'jp970580vb00039/jp970580vb00039_1', 'volume-title': 'XVIIth Congress and General Assembly of the International Union of Crystallography', 'author': 'Antipin M.', 'year': '1996'} / XVIIth Congress and General Assembly of the International Union of Crystallography by Antipin M. (1996)
{'key': 'jp970580vb00040/jp970580vb00040_1', 'first-page': '2345', 'volume': '44', 'author': 'Antipin M.', 'year': '1995', 'journal-title': 'Russ. Chem. Bull.'} / Russ. Chem. Bull. by Antipin M. (1995)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 1:15 a.m.)
Deposited	2 years, 6 months ago (March 5, 2023, 9:32 p.m.)
Indexed	2 months ago (July 2, 2025, 3:26 p.m.)
Issued	28 years, 2 months ago (July 1, 1997)
Published	28 years, 2 months ago (July 1, 1997)
Published Online	28 years, 1 month ago (July 24, 1997)
Published Print	28 years, 2 months ago (July 1, 1997)

Funders 0

None

BibTeX

@article{Boese_1997, title={Single-Crystal Structure and Electron Density Distribution of Ammonia at 160 K on the Basis of X-ray Diffraction Data}, volume={101}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp970580v}, DOI={10.1021/jp970580v}, number={30}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Boese, Roland and Niederprüm, Norbert and Bläser, Dieter and Maulitz, Andreas and Antipin, Mikhael Yu. and Mallinson, Paul R.}, year={1997}, month=jul, pages={5794–5799} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        2
      ]
    ],
    "date-time": "2025-07-02T19:26:45Z",
    "timestamp": 1751484405481
  },
  "reference-count": 39,
  "publisher": "American Chemical Society (ACS)",
  "issue": "30",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1997,
        7,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp970580v",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T05:15:02Z",
    "timestamp": 1027660502000
  },
  "page": "5794-5799",
  "source": "Crossref",
  "is-referenced-by-count": 68,
  "title": "Single-Crystal Structure and Electron Density Distribution of Ammonia at 160 K on the Basis of X-ray Diffraction Data",
  "prefix": "10.1021",
  "volume": "101",
  "author": [
    {
      "given": "Roland",
      "family": "Boese",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Anorganische Chemie, Universit\u00e4t-GH Essen, Universit\u00e4tsstr. 3-5, 45117 Essen, Germany"
        }
      ]
    },
    {
      "given": "Norbert",
      "family": "Niederpr\u00fcm",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Anorganische Chemie, Universit\u00e4t-GH Essen, Universit\u00e4tsstr. 3-5, 45117 Essen, Germany"
        }
      ]
    },
    {
      "given": "Dieter",
      "family": "Bl\u00e4ser",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Anorganische Chemie, Universit\u00e4t-GH Essen, Universit\u00e4tsstr. 3-5, 45117 Essen, Germany"
        }
      ]
    },
    {
      "given": "Andreas",
      "family": "Maulitz",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Anorganische Chemie, Universit\u00e4t-GH Essen, Universit\u00e4tsstr. 3-5, 45117 Essen, Germany"
        }
      ]
    },
    {
      "given": "Mikhael Yu.",
      "family": "Antipin",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov St. 28, B-334, Moscow 117813, Russia"
        }
      ]
    },
    {
      "given": "Paul R.",
      "family": "Mallinson",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Chemistry Department, University of Glasgow, Glasgow G12 Q, U.K."
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        1997,
        7,
        24
      ]
    ]
  },
  "reference": [
    {
      "key": "jp970580vb00001/jp970580vb00001_1",
      "first-page": "365",
      "volume": "164",
      "author": "Wiberg K. B.",
      "year": "1988",
      "journal-title": "J. Mol. Struct."
    },
    {
      "key": "jp970580vb00002/jp970580vb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "78",
      "DOI": "10.1016/0009-2614(83)80661-7",
      "volume": "102",
      "author": "Politzer P.",
      "year": "1983",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970580vb00003/jp970580vb00003_1",
      "first-page": "5557",
      "volume": "68",
      "author": "Rhighini R.",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970580vb00004/jp970580vb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "364",
      "DOI": "10.1016/0022-2860(87)80076-5",
      "volume": "160",
      "author": "Brink G.",
      "year": "1987",
      "journal-title": "J. Mol. Struct."
    },
    {
      "key": "jp970580vb00005/jp970580vb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "15845",
      "DOI": "10.1021/j100043a023",
      "volume": "99",
      "author": "Novoa J. J.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00006/jp970580vb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "6492",
      "DOI": "10.1021/j100017a032",
      "volume": "99",
      "author": "Platts J. A.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00007/jp970580vb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "2253",
      "DOI": "10.1021/j100293a009",
      "volume": "91",
      "author": "Taurian O. E.",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00008/jp970580vb00008_1",
      "first-page": "162",
      "volume": "102",
      "author": "Suter H. U.",
      "year": "1993",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp970580vb00009/jp970580vb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "5298",
      "DOI": "10.1021/jp952330p",
      "volume": "100",
      "author": "Aray Y.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00010/jp970580vb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "235",
      "DOI": "10.1016/0166-1280(95)04333-8",
      "volume": "357",
      "author": "Finley J. W.",
      "year": "1995",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp970580vb00011/jp970580vb00011_1",
      "first-page": "6324",
      "volume": "100",
      "author": "Wang J.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00012/jp970580vb00012_1",
      "first-page": "836",
      "volume": "12",
      "author": "Olovsson J.",
      "year": "1959",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "jp970580vb00013/jp970580vb00013_1",
      "first-page": "1737",
      "volume": "35",
      "author": "Reed J. W.",
      "year": "1961",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970580vb00014/jp970580vb00014_1",
      "first-page": "571",
      "volume": "35",
      "author": "Hewat A. W.",
      "year": "1979",
      "journal-title": "Acta Crystallogr. Ser. A"
    },
    {
      "key": "jp970580vb00015/jp970580vb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "692",
      "DOI": "10.1146/annurev.pc.43.100192.003311",
      "volume": "43",
      "author": "Coppens P.",
      "year": "1992",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "jp970580vb00016/jp970580vb00016_1",
      "unstructured": "The Application of Charge Density Research to Chemistry and Drug Design; Jeffrey, G. A., Piniela, J. F., Eds.; NATO ASI Series; Plenum Press:\u2009 New York, 1991; Vol. 250, 409 pp."
    },
    {
      "key": "jp970580vb00017/jp970580vb00017_1",
      "unstructured": "Coulson, C. A.Valence; Oxford University Press:\u2009 London, 1952."
    },
    {
      "key": "jp970580vb00018/jp970580vb00018_1",
      "volume-title": "The VSEPR Model of Molecular Geometry",
      "author": "Gillespie R. J.",
      "year": "1991"
    },
    {
      "key": "jp970580vb00019/jp970580vb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "921",
      "DOI": "10.1107/S0567739478001886",
      "volume": "34",
      "author": "Hansen N. K.",
      "year": "1978",
      "journal-title": "Acta Crystallogr. Ser. A"
    },
    {
      "key": "jp970580vb00020/jp970580vb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "101",
      "DOI": "10.1007/978-1-4615-3700-7_4",
      "volume-title": "The Application of Charge Density Research to Chemistry and Drug Design",
      "volume": "250",
      "author": "Stewart R.",
      "year": "1991"
    },
    {
      "key": "jp970580vb00022/jp970580vb00022_1",
      "volume-title": "Atoms in Molecules:\u2009 A Quantum Theory",
      "author": "Bader R. F. W.",
      "year": "1991"
    },
    {
      "key": "jp970580vb00023/jp970580vb00023_1",
      "volume-title": "Theoretical Models of Chemical Bonding, Part 2. The Concept of the Chemical Bond",
      "author": "Kraka E.",
      "year": "1990"
    },
    {
      "key": "jp970580vb00024/jp970580vb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "328",
      "DOI": "10.1107/S0108768194011407",
      "volume": "51",
      "author": "Howard S. T.",
      "year": "1995",
      "journal-title": "Acta Crystallogr. Ser. B"
    },
    {
      "key": "jp970580vb00025/jp970580vb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "433",
      "DOI": "10.1016/0166-1280(92)85022-D",
      "volume": "255",
      "author": "Gatti C.",
      "year": "1992",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp970580vb00026/jp970580vb00026_1",
      "first-page": "59",
      "volume": "51",
      "author": "Destro R.",
      "year": "1995",
      "journal-title": "Acta Crystallogr. Ser. B"
    },
    {
      "key": "jp970580vb00027/jp970580vb00027_1",
      "first-page": "10553",
      "volume": "100",
      "author": "Koritsanzky T.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00028/jp970580vb00028_1",
      "first-page": "676",
      "volume": "52",
      "author": "Yufit D. S.",
      "year": "1996",
      "journal-title": "Acta Crystallogr. Ser. B"
    },
    {
      "key": "jp970580vb00029/jp970580vb00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "10141",
      "DOI": "10.1021/j100025a013",
      "volume": "99",
      "author": "Flensburg C.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970580vb00030/jp970580vb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "1161",
      "DOI": "10.1139/v96-129",
      "volume": "74",
      "author": "Roversi P.",
      "year": "1996",
      "journal-title": "Can. J. Chem."
    },
    {
      "key": "jp970580vb00031/jp970580vb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "316",
      "DOI": "10.1107/S002188988501038X",
      "volume": "18",
      "author": "Brodalla D.",
      "year": "1985",
      "journal-title": "J. Appl. Crystallogr."
    },
    {
      "key": "jp970580vb00032/jp970580vb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "595",
      "DOI": "10.1107/S0567740873002967",
      "volume": "29",
      "author": "Dunitz J. D.",
      "year": "1973",
      "journal-title": "Acta Crystallogr. Ser. B"
    },
    {
      "key": "jp970580vb00033/jp970580vb00033_1",
      "volume-title": "Version",
      "author": "Koritsanszky T.",
      "year": "1995"
    },
    {
      "key": "jp970580vb00034/jp970580vb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "94",
      "DOI": "10.1016/0022-2852(71)90280-3",
      "volume": "39",
      "author": "Helminger P.",
      "year": "1971",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp970580vb00035/jp970580vb00035_1",
      "volume-title": "Handbook of Chemistry and Physics",
      "author": "Lide D. R.",
      "year": "1991",
      "edition": "72"
    },
    {
      "key": "jp970580vb00036/jp970580vb00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "234",
      "DOI": "10.1021/ar950207a",
      "volume": "29",
      "author": "Wiberg K. B.",
      "year": "1996",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "jp970580vb00037/jp970580vb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "90",
      "DOI": "10.1002/ijch.196400026",
      "volume": "2",
      "author": "Hirshfeld F. L.",
      "year": "1964",
      "journal-title": "Israel J. Chem."
    },
    {
      "key": "jp970580vb00038/jp970580vb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "1797",
      "DOI": "10.1021/cr00016a005",
      "volume": "92",
      "author": "Spackman M.",
      "year": "1992",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp970580vb00039/jp970580vb00039_1",
      "volume-title": "XVIIth Congress and General Assembly of the International Union of Crystallography",
      "author": "Antipin M.",
      "year": "1996"
    },
    {
      "key": "jp970580vb00040/jp970580vb00040_1",
      "first-page": "2345",
      "volume": "44",
      "author": "Antipin M.",
      "year": "1995",
      "journal-title": "Russ. Chem. Bull."
    }
  ],
  "container-title": "The Journal of Physical Chemistry B",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp970580v",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        6
      ]
    ],
    "date-time": "2023-03-06T02:32:08Z",
    "timestamp": 1678069928000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp970580v"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1997,
        7,
        1
      ]
    ]
  },
  "references-count": 39,
  "journal-issue": {
    "issue": "30",
    "published-print": {
      "date-parts": [
        [
          1997,
          7,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp970580v"
  ],
  "URL": "http://dx.doi.org/10.1021/jp970580v",
  "relation": {},
  "ISSN": [
    "1520-6106",
    "1520-5207"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. B",
  "published": {
    "date-parts": [
      [
        1997,
        7,
        1
      ]
    ]
  }
}