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2000 Fiscal Year Final Research Report Summary

Development and Application of NMR Signal Enhancement Technique by using Laser-Excited Triplet State

Research Project

Project/Area Number 11440175
Research Category

Grant-in-Aid for Scientific Research (B).

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

TAKEGOSHI Kiyonori  Kyoto Univ., Graduate School of Sci., Asso. Prof., 大学院・理学研究科, 助教授 (10206964)

Co-Investigator(Kenkyū-buntansha) TERAO Takehiko  Kyoto Univ., Graduate School of Sci., Prof., 大学院・理学研究科, 教授 (50093274)
Project Period (FY) 1999 – 2000
Keywordssolid NMR / photo-excited triplet state / laser / dynamic nuclear polarization / polarization transfer / pentacene / naphthalene
Research Abstract

In NMR, the low frequency leads to low sensitivity. This is the biggest remaining problem of NMR.We are investigating a possibility of improving the sensitivity using dynamic nuclear polarization (DNP). We transfer the big polarization of electron spins in a photo-excited triplet state to nuclear spins by cross polarization. Comparing with DNP by paramagnetic species, this approach has a potential for obtaining much larger polarization.
Firstly, we exmained 13.6 MHz proton NMR for a single crystal (18 mg) of perdeuterated naphthalene (the residual proton content is 0.8%) doped with 0.015 mo1% pentacene. The pentacene molecules in the naphthalene lattice are photo-excited to the triplet state, from which the electron polarization is trabsfered to the ^1H spins. We could achieve the polarization up to 67.5% by DNP, which is essentially the same with the electron polarization of about 63%. Thus, the theoretically maximum proton polarization has been attained for the first time. The proton … More polarization is 3.4×10^5 times as large as the thermal equilibrium value. The buildup time constant is 420 s, being much shorter than that (7430 s) in normal naphthalene.
Secondly, to examine the applicability of this approach for a powdered sample, we undertook a similar expariment for a powdered naphthalene sample doped with pentacene. For perdeuterated naphthalene, the proton polarization reaches to 10000 times as large as the thermal equilibrium value at 100 K.For non-deuterated naphthalene, the gain is ca. 3000 at 100 K.These result show that this approach may be hopeful to obtain high NMR sensitivity in interesting systems by applying the DNP technique to interesting guest/host systems or by transferring the big polarization created in such a system as pentacene-doped naphthalene to initially unpolarized interesting systems via the surfaces. As an interesting example of applications, the present DNP technique may be used to greatly improve the NMR sensitivity of a system used for NMR quantum computing and to initialize the computer. Less

  • Research Products

    (12 results)

All Other

All Publications (12 results)

  • [Publications] K.Nomura: "Determination of the Complete Structure of a Uniformly Labeled Molecule by Rotational Resonance Solid-State NMR in the Tilted Rotating Frame"J.Am.Chem.Soc.. 121(16). 4064-4065 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] D.Reichert: "Narrowband Excitation of ^2H Powder Pattern and Its Application to ^2H 1D Exchange Sample-Turning NMR"J.Magn.Reson.. 139(2). 308-313 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Takegoshi: "^<13>C-^1H dipolar recoupling under very fast magic-angle spinning using virtual pulses"Solid State Nucl.Magn.Reson.. 13(4). 203-212 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Takegoshi: "^<13>C-^<13>C polarization transfer by resonant interference recoupling under magin-angle spinning in solid-state NMR"Chem.Phys.Lett.. 307(5-6). 295-302 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Nomura: "Three-Dimensional Structure Determination of a Uniformly Labeled Molecule by Frequency-Selective Dipolar Recoupling Under Magic-Angle Spinning"J.Biol.Nucl.Magn.Reson.. 17(2). 111-123 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Takegoshi: "One- and two-dimensional ^<13>C-^1H/^<15>N-^1H dipolar correlation experiments in solids under fast magic-angle spinning for determining the peptide dihedral φ angle"Solid State Nucl.Magn.Reson.. 16(4). 271-278 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Nomura et. al.: "Determination of the Complete Structure of a Uniformly Labeled Molecule by Rotational Resonance Solid-State NMR in the Tilted Rotating Frame"J.Am. Chem. Soc.. 121(16). 4064-4065 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] D.Reichert et. al.: "Narrowband Excitation of ^2H Powder Pattern and Its Application to ^2H 1D Exchange Sample-Turning NMR"J.Magn. Reson.. 139(2). 308-313 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Takegoshi et. al.: "^<13>C-^1H dipolar recoupling under very fast magic-angle spinning using virtual pulses"Solid State Nucl. Magn. Reson.. 13(4). 203-212 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Takegoshi et. al.: "^<13>C-^<13>C polarization transfer by resonant interference recoupling under magin-angle spinning in solid-state NMR"Chem. Phys. Lett.. 307(5-6). 295-302 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Nomura et. al.: "Three-Dimensional Structure Determination of a Uniformly Labeled Molecule by Frequency-Selective Dipolar Recoupling Under Magic-Angle Spinning"J.Biol. Nucl. Magn. Reson.. 17(2). 111-123 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Takegoshi et. al.: "One-and two-dimensional ^<13>C-^1H/^<15>N-^1H dipolar correlation experiments in solids under fast magic-angle spinning for determining the peptide dihedral φ angle"Solid State Nucl. Magn. Reson.. 16(4). 271-278 (2000)

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 2002-03-26  

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