Tunneling splitting due to weak coupling between methyl rotators in acetylacetone

Changho Choi, M. M. Pintar

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

In acetylacetone the energy level matching spectrum of nuclear Zeeman and tunneling energies of CH3 groups in the rotating frame of their proton spins demonstrates resonant transfers of population characteristic of a 100 KHz range tunneling splitting. However, in this material two A to E tunneling splittings, of 10.4 GHz and 1 GHz, were observed by inelastic neutron scattering. Therefore the small energy splitting must be a result of a weak torsion-torsion interaction, which has not been resolved in neutron spectroscopy. This small splitting is investigated through the dependencies of its energy level matching spectra on mixing time, tilt angle in the magnetic field, temperature, and the strength of the main dc field H0. Upon heating, the level matching resonances begin to broaden at 10 K and average out to zero at 25 K. The spectrum does not depend on H0. These observations are explained by Zeeman-tunneling level matching transitions within manifolds of EEE-symmetry states and AEE-symmetry states, both of which are split by the interaction among three CH3 groups. Based on resonances detected at vz = nΔ, where n = 1/4, 1/3, 1/2, and 1, this splitting Δ is determined to be 116±2 KHz at 10 K.

Original languageEnglish (US)
Pages (from-to)3473-3476
Number of pages4
JournalJournal of Chemical Physics
Volume106
Issue number9
StatePublished - Mar 1 1997

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acetylacetone
Torsional stress
Electron energy levels
Inelastic neutron scattering
Protons
Neutrons
torsion
Spectroscopy
Magnetic fields
Heating
energy levels
symmetry
field strength
inelastic scattering
neutron scattering
Temperature
interactions
neutrons
heating
protons

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Tunneling splitting due to weak coupling between methyl rotators in acetylacetone. / Choi, Changho; Pintar, M. M.

In: Journal of Chemical Physics, Vol. 106, No. 9, 01.03.1997, p. 3473-3476.

Research output: Contribution to journalArticle

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N2 - In acetylacetone the energy level matching spectrum of nuclear Zeeman and tunneling energies of CH3 groups in the rotating frame of their proton spins demonstrates resonant transfers of population characteristic of a 100 KHz range tunneling splitting. However, in this material two A to E tunneling splittings, of 10.4 GHz and 1 GHz, were observed by inelastic neutron scattering. Therefore the small energy splitting must be a result of a weak torsion-torsion interaction, which has not been resolved in neutron spectroscopy. This small splitting is investigated through the dependencies of its energy level matching spectra on mixing time, tilt angle in the magnetic field, temperature, and the strength of the main dc field H0. Upon heating, the level matching resonances begin to broaden at 10 K and average out to zero at 25 K. The spectrum does not depend on H0. These observations are explained by Zeeman-tunneling level matching transitions within manifolds of EEE-symmetry states and AEE-symmetry states, both of which are split by the interaction among three CH3 groups. Based on resonances detected at vz = nΔ, where n = 1/4, 1/3, 1/2, and 1, this splitting Δ is determined to be 116±2 KHz at 10 K.

AB - In acetylacetone the energy level matching spectrum of nuclear Zeeman and tunneling energies of CH3 groups in the rotating frame of their proton spins demonstrates resonant transfers of population characteristic of a 100 KHz range tunneling splitting. However, in this material two A to E tunneling splittings, of 10.4 GHz and 1 GHz, were observed by inelastic neutron scattering. Therefore the small energy splitting must be a result of a weak torsion-torsion interaction, which has not been resolved in neutron spectroscopy. This small splitting is investigated through the dependencies of its energy level matching spectra on mixing time, tilt angle in the magnetic field, temperature, and the strength of the main dc field H0. Upon heating, the level matching resonances begin to broaden at 10 K and average out to zero at 25 K. The spectrum does not depend on H0. These observations are explained by Zeeman-tunneling level matching transitions within manifolds of EEE-symmetry states and AEE-symmetry states, both of which are split by the interaction among three CH3 groups. Based on resonances detected at vz = nΔ, where n = 1/4, 1/3, 1/2, and 1, this splitting Δ is determined to be 116±2 KHz at 10 K.

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