Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98

O. Kh Poleshchuk, J. N. Latosińska

    Research output: Contribution to journal › Article

    2 Citations (Scopus)

    Abstract

    The electron density and quadrupole coupling constants of molecules containing Sb are analysed. The NQCC for antimony, calculated using the extended basis 6-311G** are much lower than the experimental data, while the use of the small 3-21G* basis led to NQCC closer to the experimental ones.

    Original languageEnglish
    Pages (from-to)276-280
    Number of pages5
    JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
    Volume55
    Issue number1-2
    DOIs
    Publication statusPublished - 1 Jan 2000

    Fingerprint

    Antimony compounds
    antimony compounds
    Antimony
    antimony
    Carrier concentration
    quadrupoles
    Molecules
    Experimental Data
    Electron
    shift
    molecules

    Keywords

    • Antimony Compounds
    • DFT
    • Isomeric Mössbauer Shifts
    • QCC

    ASJC Scopus subject areas

    • Mathematical Physics
    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

    Cite this

    Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98. / Poleshchuk, O. Kh; Latosińska, J. N.

    In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, Vol. 55, No. 1-2, 01.01.2000, p. 276-280.

    Research output: Contribution to journal › Article

    Poleshchuk, OK & Latosińska, JN 2000, 'Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98', Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, vol. 55, no. 1-2, pp. 276-280. https://doi.org/10.1515/zna-2000-1-249
    Poleshchuk OK, Latosińska JN. Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98. Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences. 2000 Jan 1;55(1-2):276-280. https://doi.org/10.1515/zna-2000-1-249
    Poleshchuk, O. Kh ; Latosińska, J. N. / Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98. In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences. 2000 ; Vol. 55, No. 1-2. pp. 276-280.
    @article{5ec71b67af794efe88801728e818e422,
    title = "Quadrupole coupling constants and M{\"o}ssbauer isomeric shifts in antimony compounds within Gaussian 98",
    abstract = "The electron density and quadrupole coupling constants of molecules containing Sb are analysed. The NQCC for antimony, calculated using the extended basis 6-311G** are much lower than the experimental data, while the use of the small 3-21G* basis led to NQCC closer to the experimental ones.",
    keywords = "Antimony Compounds, DFT, Isomeric M{\"o}ssbauer Shifts, QCC",
    author = "Poleshchuk, {O. Kh} and Latosińska, {J. N.}",
    year = "2000",
    month = "1",
    day = "1",
    doi = "10.1515/zna-2000-1-249",
    language = "English",
    volume = "55",
    pages = "276--280",
    journal = "Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences",
    issn = "0932-0784",
    publisher = "Verlag der Zeitschrift fur Naturforschung",
    number = "1-2",

    }

    TY - JOUR

    T1 - Quadrupole coupling constants and Mössbauer isomeric shifts in antimony compounds within Gaussian 98

    AU - Poleshchuk, O. Kh

    AU - Latosińska, J. N.

    PY - 2000/1/1

    Y1 - 2000/1/1

    N2 - The electron density and quadrupole coupling constants of molecules containing Sb are analysed. The NQCC for antimony, calculated using the extended basis 6-311G** are much lower than the experimental data, while the use of the small 3-21G* basis led to NQCC closer to the experimental ones.

    AB - The electron density and quadrupole coupling constants of molecules containing Sb are analysed. The NQCC for antimony, calculated using the extended basis 6-311G** are much lower than the experimental data, while the use of the small 3-21G* basis led to NQCC closer to the experimental ones.

    KW - Antimony Compounds

    KW - DFT

    KW - Isomeric Mössbauer Shifts

    KW - QCC

    UR - http://www.scopus.com/inward/record.url?scp=0040141684&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=0040141684&partnerID=8YFLogxK

    U2 - 10.1515/zna-2000-1-249

    DO - 10.1515/zna-2000-1-249

    M3 - Article

    VL - 55

    SP - 276

    EP - 280

    JO - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

    JF - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

    SN - 0932-0784

    IS - 1-2

    ER -

    Access to Document