| Project/Area Number |
12640491
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Kanazawa University |
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Principal Investigator |
NAKAGAKI Ryoichi Kanazawa University, Faculty of Pharmaceutical Sciences, Professer., 薬学部, 教授 (20159057)
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| Co-Investigator(Kenkyū-buntansha) |
KONIMOTO Koki Kanazawa University, Faculty of Engineering, Associate Professer., 工学部, 助教授 (10242538)
KOHTANI Shigeru Kanazawa University, Graduate School of Natural Scrence and Technology, Research Associate., 自然科学研究科, 助手 (00242529)
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| Project Period (FY) |
2000 – 2001
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| Project Status |
Completed (Fiscal Year 2001)
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| Budget Amount *help |
¥3,800,000 (Direct Cost: ¥3,800,000)
Fiscal Year 2001: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2000: ¥3,300,000 (Direct Cost: ¥3,300,000)
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| Keywords | DMABN / ^<15>N / ^<13>C / ^2H / Vibrational Analvsis / Benzenoid / Quinoid / DMABN-F_4 |
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| Research Abstract |
Vibrational Analysis of p -N,N- dimethylaminobenzonitrile (DMABN) has been performed for a series of isotope-substituted DMABNs in the ground saate. Infrared and Raman spectra of DMABNs have been recorded and analyzed on the basis of normal coordinate calculation on an empirical force field and of the Hartree-Fock and the density functional calculations. It has been found that a strong interaction between the dimethylamino group and the aromatic ring is directly reflected in the force field.
Picosecond transient infrared spectra have been recorded for the excited singlet state of a series of isotope-substituted DMABNs in the fingerprint region. The band at 1276cm^<-1> for normal species shifts to low frequencies on ^<15>N, ^<13>C, and ^2H substitution of the dimethylamino group, and therefore assigned to the ring C-N(CH_8)_2 single-bond stretching. Other bands observed are attributable to vibrational modes of the benzonitrile moiety. The observed results suggest that the electronic structure of the charge-transfer excited singlet state is basically of the benzenoid nature with a significant contribution from the quinoid structure.
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