Abstract
The electronic and molecular structures of a high-spin carbene oligomer, hexakiscarbene B, having a two-dimensional spin structure were investigated by single-crystal ESR spectroscopy. B was designed on the basis of I-topological symmetry argument, and generated by the photolysis of the corresponding hexakisdiazo precursor A oriented in benzophenone-d10 host Single crystals at 2.3K. The observed ESR spectra from B were well reproduced by an exact diagonalization of the spin Hamiltonian with g=2.003, D= +0.01909 cm-1, E= - 0.00193 cm-1, and S=6, proving B to be in the tridecet (S=6) State. The temperature dependence of the total intensity of the tridecet Signals proved the observed tridecet State to be the ground State. A semiempirical calculation of the fine-structure tensor yielded the most probable molecular conformation of B in the host crystal.
| Original language | English |
|---|---|
| Pages (from-to) | 251-260 |
| Number of pages | 10 |
| Journal | Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals |
| Volume | 232 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Aug 1 1993 |
| Externally published | Yes |
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All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
Cite this
Molecular Design, Synthesis, and Electron Spin Resonance Detection of a Ground-State Tridecet (S=6) Hydrocarbon as a Model for 2D Organic Ferro- and Superpara-Magnets. / Furukawa, Katsuhiko; Matsumura, Takako; Teki, Yoshio; Kinoshita, Takamasa; Takui, Takeji; Itoh, Koichi.
In: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol. 232, No. 1, 01.08.1993, p. 251-260.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Molecular Design, Synthesis, and Electron Spin Resonance Detection of a Ground-State Tridecet (S=6) Hydrocarbon as a Model for 2D Organic Ferro- and Superpara-Magnets
AU - Furukawa, Katsuhiko
AU - Matsumura, Takako
AU - Teki, Yoshio
AU - Kinoshita, Takamasa
AU - Takui, Takeji
AU - Itoh, Koichi
PY - 1993/8/1
Y1 - 1993/8/1
N2 - The electronic and molecular structures of a high-spin carbene oligomer, hexakiscarbene B, having a two-dimensional spin structure were investigated by single-crystal ESR spectroscopy. B was designed on the basis of I-topological symmetry argument, and generated by the photolysis of the corresponding hexakisdiazo precursor A oriented in benzophenone-d10 host Single crystals at 2.3K. The observed ESR spectra from B were well reproduced by an exact diagonalization of the spin Hamiltonian with g=2.003, D= +0.01909 cm-1, E= - 0.00193 cm-1, and S=6, proving B to be in the tridecet (S=6) State. The temperature dependence of the total intensity of the tridecet Signals proved the observed tridecet State to be the ground State. A semiempirical calculation of the fine-structure tensor yielded the most probable molecular conformation of B in the host crystal.
AB - The electronic and molecular structures of a high-spin carbene oligomer, hexakiscarbene B, having a two-dimensional spin structure were investigated by single-crystal ESR spectroscopy. B was designed on the basis of I-topological symmetry argument, and generated by the photolysis of the corresponding hexakisdiazo precursor A oriented in benzophenone-d10 host Single crystals at 2.3K. The observed ESR spectra from B were well reproduced by an exact diagonalization of the spin Hamiltonian with g=2.003, D= +0.01909 cm-1, E= - 0.00193 cm-1, and S=6, proving B to be in the tridecet (S=6) State. The temperature dependence of the total intensity of the tridecet Signals proved the observed tridecet State to be the ground State. A semiempirical calculation of the fine-structure tensor yielded the most probable molecular conformation of B in the host crystal.
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U2 - 10.1080/10587259308035716
DO - 10.1080/10587259308035716
M3 - Article
AN - SCOPUS:84963167607
VL - 232
SP - 251
EP - 260
JO - Molecular Crystals and Liquid Crystals
JF - Molecular Crystals and Liquid Crystals
SN - 1542-1406
IS - 1
ER -