DOI: 10.1063/1.1743727. Structure of the Methylamine Molecule. I. Microwave Spectrum of CD3ND2

Structure of the Methylamine Molecule. I. Microwave Spectrum of CD3ND2

10.1063/1.1743727

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The spectrum of CD3ND2 has been investigated in the 24 000–36 000 Mc region and about thirty lines have been assigned. The rotational spectrum exhibits a fine structure as a result of internal rotation and inversion. An approximate treatment of these internal motions is formulated and shown to give an excellent fit of the observed spectrum. A treatment of Stark effects and nuclear quadrupole interactions is developed and applied to the CD3ND2 spectrum. The relation to the CH3NH2 spectrum is discussed. Molecular constants of CD3ND2 determined from the spectral analysis are: torsional barrier height H=684.7±2 cm-1; dipole moment components μa=0.265 D, μc=1.299 D, total μ=1.326±0.015 D; N14 quadrupole coupling constants χaa=2.35 Mc, χbb=2.12 Mc, χcc=—4.47 Mc. Structural parameters calculated from data on CD3ND2 and CH3NH2 are: rCH=1.093 A (assumed), ∠HCH=109°28′ (assumed), rCN=1.474 A, rNH=1.011 A, ∠HNH=105°52′, ∠CNH=112°3′; the nitrogen atom is located 0.091 A from the CH3 symmetry axis.

Bibliography

Lide, D. R. (1957). Structure of the Methylamine Molecule. I. Microwave Spectrum of CD3ND2. The Journal of Chemical Physics, 27(2), 343â352.

Authors 1

David R. Lide (first)

References 27 Referenced 215

{'key': '2024020817411137200_r1', 'first-page': '554', 'volume': '71', 'year': '1947', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1947)
10.1103/RevModPhys.20.668 / Revs. Modern Phys. (1948)
{'key': '2024020817411137200_r3', 'first-page': '1812', 'volume': '20', 'year': '1952', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1952)
{'key': '2024020817411137200_r3a', 'first-page': '571', 'volume': '21', 'year': '1953', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1953)
{'key': '2024020817411137200_r4', 'first-page': '1613', 'volume': '22', 'year': '1954', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1954)
10.1143/JPSJ.9.974 / J. Phys. Soc. Japan (1954)
{'key': '2024020817411137200_r5a', 'first-page': '1456', 'volume': '22', 'year': '1954', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1954)
{'key': '2024020817411137200_r5b', 'first-page': '1735', 'volume': '23', 'year': '1955', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1955)
10.1143/JPSJ.11.264 / J. Phys. Soc. Japan (1956)
10.1103/PhysRev.84.408 / Phys. Rev. (1951)
10.1063/1.1698668 / J. Chem. Phys. (1953)
10.1063/1.1743262 / J. Chem. Phys. (1957)
{'key': '2024020817411137200_r10'}
{'key': '2024020817411137200_r11'}
10.1063/1.1723778 / J. Chem. Phys. (1943)
{'key': '2024020817411137200_r13'}
{'key': '2024020817411137200_r14'}
10.1063/1.1746974 / J. Chem. Phys. (1948)
{'key': '2024020817411137200_r16'}
{'key': '2024020817411137200_r17'}
10.1103/PhysRev.74.533 / Phys. Rev. (1948)
{'key': '2024020817411137200_r19'}
10.1063/1.1742240 / J. Chem. Phys. (1955)
10.1021/ja01143a073 / J. Am. Chem. Soc. (1952)
{'key': '2024020817411137200_r22'}
{'key': '2024020817411137200_r23', 'first-page': '1062', 'volume': '85', 'year': '1952', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1952)
{'key': '2024020817411137200_r24'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 8:54 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 1:33 p.m.)
Indexed	1 year, 5 months ago (March 12, 2024, 7 a.m.)
Issued	68 years ago (Aug. 1, 1957)
Published	68 years ago (Aug. 1, 1957)
Published Print	68 years ago (Aug. 1, 1957)

Funders 0

None

BibTeX

@article{Lide_1957, title={Structure of the Methylamine Molecule. I. Microwave Spectrum of CD3ND2}, volume={27}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1743727}, DOI={10.1063/1.1743727}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lide, David R.}, year={1957}, month=aug, pages={343–352} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        3,
        12
      ]
    ],
    "date-time": "2024-03-12T11:00:42Z",
    "timestamp": 1710241242277
  },
  "reference-count": 27,
  "publisher": "AIP Publishing",
  "issue": "2",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1957,
        8,
        1
      ]
    ]
  },
  "abstract": "<jats:p>The spectrum of CD3ND2 has been investigated in the 24 000\u201336 000 Mc region and about thirty lines have been assigned. The rotational spectrum exhibits a fine structure as a result of internal rotation and inversion. An approximate treatment of these internal motions is formulated and shown to give an excellent fit of the observed spectrum. A treatment of Stark effects and nuclear quadrupole interactions is developed and applied to the CD3ND2 spectrum. The relation to the CH3NH2 spectrum is discussed.</jats:p>\n               <jats:p>Molecular constants of CD3ND2 determined from the spectral analysis are: torsional barrier height H=684.7\u00b12 cm-1; dipole moment components \u03bca=0.265 D, \u03bcc=1.299 D, total \u03bc=1.326\u00b10.015 D; N14 quadrupole coupling constants \u03c7aa=2.35 Mc, \u03c7bb=2.12 Mc, \u03c7cc=\u20144.47 Mc. Structural parameters calculated from data on CD3ND2 and CH3NH2 are: rCH=1.093 A (assumed), \u2220HCH=109\u00b028\u2032 (assumed), rCN=1.474 A, rNH=1.011 A, \u2220HNH=105\u00b052\u2032, \u2220CNH=112\u00b03\u2032; the nitrogen atom is located 0.091 A from the CH3 symmetry axis.</jats:p>",
  "DOI": "10.1063/1.1743727",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2005,
        1,
        6
      ]
    ],
    "date-time": "2005-01-06T01:54:39Z",
    "timestamp": 1104976479000
  },
  "page": "343-352",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 215,
  "title": "Structure of the Methylamine Molecule. I. Microwave Spectrum of CD3ND2",
  "prefix": "10.1063",
  "volume": "27",
  "author": [
    {
      "suffix": "Jr.",
      "given": "David R.",
      "family": "Lide",
      "sequence": "first",
      "affiliation": [
        {
          "name": "National Bureau of Standards, Washington, D. C."
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020817411137200_r1",
      "first-page": "554",
      "volume": "71",
      "year": "1947",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020817411137200_r2",
      "doi-asserted-by": "crossref",
      "first-page": "668",
      "DOI": "10.1103/RevModPhys.20.668",
      "volume": "20",
      "year": "1948",
      "journal-title": "Revs. Modern Phys."
    },
    {
      "key": "2024020817411137200_r3",
      "first-page": "1812",
      "volume": "20",
      "year": "1952",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r3a",
      "first-page": "571",
      "volume": "21",
      "year": "1953",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r4",
      "first-page": "1613",
      "volume": "22",
      "year": "1954",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r5",
      "doi-asserted-by": "crossref",
      "first-page": "974",
      "DOI": "10.1143/JPSJ.9.974",
      "volume": "9",
      "year": "1954",
      "journal-title": "J. Phys. Soc. Japan"
    },
    {
      "key": "2024020817411137200_r5a",
      "first-page": "1456",
      "volume": "22",
      "year": "1954",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r5b",
      "first-page": "1735",
      "volume": "23",
      "year": "1955",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r6",
      "doi-asserted-by": "crossref",
      "first-page": "264",
      "DOI": "10.1143/JPSJ.11.264",
      "volume": "11",
      "year": "1956",
      "journal-title": "J. Phys. Soc. Japan"
    },
    {
      "key": "2024020817411137200_r7",
      "doi-asserted-by": "crossref",
      "first-page": "408",
      "DOI": "10.1103/PhysRev.84.408",
      "volume": "84",
      "year": "1951",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020817411137200_r8",
      "doi-asserted-by": "crossref",
      "first-page": "1804",
      "DOI": "10.1063/1.1698668",
      "volume": "21",
      "year": "1953",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r9",
      "doi-asserted-by": "crossref",
      "first-page": "31",
      "DOI": "10.1063/1.1743262",
      "volume": "26",
      "year": "1957",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r10"
    },
    {
      "key": "2024020817411137200_r11"
    },
    {
      "key": "2024020817411137200_r12",
      "doi-asserted-by": "crossref",
      "first-page": "27",
      "DOI": "10.1063/1.1723778",
      "volume": "11",
      "year": "1943",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r13"
    },
    {
      "key": "2024020817411137200_r14"
    },
    {
      "key": "2024020817411137200_r15",
      "doi-asserted-by": "crossref",
      "first-page": "669",
      "DOI": "10.1063/1.1746974",
      "volume": "16",
      "year": "1948",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r16"
    },
    {
      "key": "2024020817411137200_r17"
    },
    {
      "key": "2024020817411137200_r18",
      "doi-asserted-by": "crossref",
      "first-page": "533",
      "DOI": "10.1103/PhysRev.74.533",
      "volume": "74",
      "year": "1948",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020817411137200_r19"
    },
    {
      "key": "2024020817411137200_r20",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1063/1.1742240",
      "volume": "23",
      "year": "1955",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020817411137200_r21",
      "doi-asserted-by": "crossref",
      "first-page": "6076",
      "DOI": "10.1021/ja01143a073",
      "volume": "74",
      "year": "1952",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024020817411137200_r22"
    },
    {
      "key": "2024020817411137200_r23",
      "first-page": "1062",
      "volume": "85",
      "year": "1952",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020817411137200_r24"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/27/2/343/18813085/343_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/27/2/343/18813085/343_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        8
      ]
    ],
    "date-time": "2024-02-08T18:33:58Z",
    "timestamp": 1707417238000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/27/2/343/77410/Structure-of-the-Methylamine-Molecule-I-Microwave"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1957,
        8,
        1
      ]
    ]
  },
  "references-count": 27,
  "journal-issue": {
    "issue": "2",
    "published-print": {
      "date-parts": [
        [
          1957,
          8,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1743727",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1957,
        8
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1957,
        8,
        1
      ]
    ]
  }
}