Room-temperature stable ground-state triplet carbene with perpendicular conformation as models for organic high-spin units with robust π-spin polarization

K. Furukawa, T. Takui, K. Itoh, I. Miyahara, K. Hirotsu, T. Watanabe, K. Hiraid, H. Tomioka

    Research output: Contribution to journalArticle

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    Abstract

    A ground-state triplet diphenylcarbene derivative, 2,2′,4,4′,6,6′-hexabromodiphenylcarbene 2 was synthesized and generated to be a model for chemically stable organic high-spin molecules. This paper describes ESR detection of 2 in the crystal of the diazo precursor 1 and the molecular and crystal structure of the diazo precursor obtained by X-ray diffraction at room temperature. The crystal is monoclinic with cell dimensions, a=9.993Å, b=13.261Å, c=12.743Å, θ=91.88°, Z=4, and the space group P21/n. The two phenyl rings of 2,4,6-bromo-substitution make bent perpendicular conformation with 139 degree of the bond angle at the diazo methane. Non-bonded contacts shorter than the van der Waals radii were found between the nitrogen and bromine atoms of the nearest neighboring molecules.

    Original languageEnglish
    Pages (from-to)1659-1660
    Number of pages2
    JournalSynthetic Metals
    Volume85
    Issue number1-3
    Publication statusPublished - Mar 15 1997

    Fingerprint

    Spin polarization
    carbenes
    Ground state
    Conformations
    Diazomethane
    Bromine
    Crystals
    Molecules
    ground state
    room temperature
    polarization
    bromine
    nitrogen atoms
    Molecular structure
    crystals
    Paramagnetic resonance
    molecules
    Methane
    Substitution reactions
    molecular structure

    All Science Journal Classification (ASJC) codes

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics
    • Mechanics of Materials
    • Mechanical Engineering
    • Metals and Alloys
    • Materials Chemistry

    Cite this

    Room-temperature stable ground-state triplet carbene with perpendicular conformation as models for organic high-spin units with robust π-spin polarization. / Furukawa, K.; Takui, T.; Itoh, K.; Miyahara, I.; Hirotsu, K.; Watanabe, T.; Hiraid, K.; Tomioka, H.

    In: Synthetic Metals, Vol. 85, No. 1-3, 15.03.1997, p. 1659-1660.

    Research output: Contribution to journalArticle

    Furukawa, K, Takui, T, Itoh, K, Miyahara, I, Hirotsu, K, Watanabe, T, Hiraid, K & Tomioka, H 1997, 'Room-temperature stable ground-state triplet carbene with perpendicular conformation as models for organic high-spin units with robust π-spin polarization', Synthetic Metals, vol. 85, no. 1-3, pp. 1659-1660.
    Furukawa, K. ; Takui, T. ; Itoh, K. ; Miyahara, I. ; Hirotsu, K. ; Watanabe, T. ; Hiraid, K. ; Tomioka, H. / Room-temperature stable ground-state triplet carbene with perpendicular conformation as models for organic high-spin units with robust π-spin polarization. In: Synthetic Metals. 1997 ; Vol. 85, No. 1-3. pp. 1659-1660.
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    AU - Furukawa, K.

    AU - Takui, T.

    AU - Itoh, K.

    AU - Miyahara, I.

    AU - Hirotsu, K.

    AU - Watanabe, T.

    AU - Hiraid, K.

    AU - Tomioka, H.

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    N2 - A ground-state triplet diphenylcarbene derivative, 2,2′,4,4′,6,6′-hexabromodiphenylcarbene 2 was synthesized and generated to be a model for chemically stable organic high-spin molecules. This paper describes ESR detection of 2 in the crystal of the diazo precursor 1 and the molecular and crystal structure of the diazo precursor obtained by X-ray diffraction at room temperature. The crystal is monoclinic with cell dimensions, a=9.993Å, b=13.261Å, c=12.743Å, θ=91.88°, Z=4, and the space group P21/n. The two phenyl rings of 2,4,6-bromo-substitution make bent perpendicular conformation with 139 degree of the bond angle at the diazo methane. Non-bonded contacts shorter than the van der Waals radii were found between the nitrogen and bromine atoms of the nearest neighboring molecules.

    AB - A ground-state triplet diphenylcarbene derivative, 2,2′,4,4′,6,6′-hexabromodiphenylcarbene 2 was synthesized and generated to be a model for chemically stable organic high-spin molecules. This paper describes ESR detection of 2 in the crystal of the diazo precursor 1 and the molecular and crystal structure of the diazo precursor obtained by X-ray diffraction at room temperature. The crystal is monoclinic with cell dimensions, a=9.993Å, b=13.261Å, c=12.743Å, θ=91.88°, Z=4, and the space group P21/n. The two phenyl rings of 2,4,6-bromo-substitution make bent perpendicular conformation with 139 degree of the bond angle at the diazo methane. Non-bonded contacts shorter than the van der Waals radii were found between the nitrogen and bromine atoms of the nearest neighboring molecules.

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