The reaction of N,N-dichloroethanesulfonamide with 1-olefin

Ohashi, Takeki; Sugie, Masahiro; Okahara, Mitsuo; Komori, Saburô

doi:10.1016/s0040-4020(01)83035-0

Cited by 16 publications

(5 citation statements)

References 10 publications

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“…The Q-branch Lamb-dip measurements provide precise anchor points for the evaluation of tentative P and R subbranch assignments via stringent combination-difference tests in a companion ongoing Fourier transform study, and have been very valuable in helping to determine or confirm a number of proposed identifications. From the ͑0 Aa 0͒ and ͑0 Ea 0͒ subband measurements, upper-state energy level term values were obtained by addition of calculated groundstate energies 47 and have been fitted to J͑J +1͒-power-series expansions in order to determine the C-N stretching substate origins and effective B values. Origin wavenumbers of 1044.7061 and 1044.8011 cm −1 for the ͑0 Aa 0͒ and ͑0 Ea 0͒ subbands, respectively, were then determined by subtracting calculated ground-state energies from the substate origins.…”

Section: Discussionmentioning

confidence: 99%

“…3, we obtain stringent tests of trial assignments of the associated R͑J −1͒ and P͑J +1͒ transitions, tying down the identifications and greatly enhancing confidence in proposed subband assignments. The last column of Table I also lists energy term values for the upper levels of the corresponding transitions in the first column, obtained by adding our measured wavenumbers to calculated ground state energies 47 with the ͑ t S t−i K , J͒ = ͑0 As 0,0͒ ground level taken as the energy zero. In order to determine the J-independent origins of the ͑ t S t−i K͒ = ͑0 Aa 0͒ and ͑0 Ea 0͒ C-N stretching substates, their term values were least-squares fitted to J͑J +1͒ power-series expansions of the form ͚ m=0 a m ͓J͑J +1͔͒ m , where a 0 is the substate origin and a 1 is an effective B rotational constant.…”

Section: Microwave Frequency (Ghz)mentioning

confidence: 99%

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Precision Lamb-dip infrared spectra of the C–N stretching band of CH3NH2 with a CO2-laser/microwave-sideband spectrometer

Sun

Lees

2010

The Journal of Chemical Physics

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We report saturation dip spectroscopy in the C-N stretching band of CH(3)NH(2) with a resolution of 0.4 MHz and an accuracy of 0.1 MHz by use of a CO(2)-laser/microwave-sideband spectrometer. The wide tunability, Lamb-dip resolution, absolute frequency accuracy, and high sensitivity of our dual-mode instrument were all key features in making precise measurements for a range of lines in the densely crowded spectrum with its complex pattern of splittings arising from the large-amplitude CH(3) torsion and NH(2) inversion. We focused on achieving resolution and assignment of transitions within the highly blended Q branch of the C-N stretch and on observations of the important K=0 sequences of Aa and Ea torsion-inversion symmetry. Term values of the latter were fitted to J(J+1) power-series expansions to obtain the K=0 C-N stretching effective B values and substate origins, from which calculated ground-state substate energies were subtracted to yield values of 1044.7061 and 1044.8011 cm(-1) for the Aa and Ea subband origins, respectively. We thereby estimate a mean value of 1044.75(5) cm(-1) for the vibrational band origin and 0.7323(5) cm(-1) for the effective upper-state B value for the C-N stretching fundamental of CH(3)NH(2).

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Section: Discussionmentioning

confidence: 99%

Section: Microwave Frequency (Ghz)mentioning

confidence: 99%

Precision Lamb-dip infrared spectra of the C–N stretching band of CH3NH2 with a CO2-laser/microwave-sideband spectrometer

Sun

Lees

2010

The Journal of Chemical Physics

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“…Detail of the calculation will be published elsewhere. 16 As a result, it was clearly illustrated that the DOS of O 2s electrons were split into two peaks by alloying. Looking at the spatial distribution of O 2s electronic states, those with relatively lower E B were localized at ͓MgO 4 ͔ octahedron, whereas those with higher E B were distributed over the ͓ZnO 4 ͔ octahedrons.…”

Section: Hard X-ray Photoemission Spectroscopy In Wurtzite-type Zinc mentioning

confidence: 95%

Hard x-ray photoemission spectroscopy in wurtzite-type zinc magnesium oxide solid-solution films grown by pulsed-laser deposition

Ohsawa

Ohashi

Adachi

et al. 2008

Applied Physics Letters

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The electronic structure of Zn1−xMgxO alloy thin films was determined by hard x-ray photoemission spectroscopy (HX-PES) and optical transmittance measurements. HX-PES measurements revealed that the binding energies of valence band, Zn 2p, and O 1s levels increased with increasing MgO fraction. The energy shift correlated with a widening of the band gap and change in ionicity of chemical bonds by alloying. The Fermi level in the alloy compounds was found to be close to the bottom of conduction band regardless of the MgO fraction.

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“…We also used the same fitting program, i.e., a slightly modified version of the program obtained from Ohashi. 11 The reader is referred to Ref. 5 and references therein for a detailed description of this formalism.…”

Section: Effective Hamiltonianmentioning

confidence: 99%

A microwave study of hydrogen-transfer-triggered methyl-group rotation in 5-methyltropolone

Ilyushin

Cloessner²,

Chou³

et al. 2010

The Journal of Chemical Physics

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We present here the first experimental and theoretical study of the microwave spectrum of 5-methyltropolone, which can be visualized as a seven-membered "aromatic" carbon ring with a five-membered hydrogen-bonded cyclic structure at the top and a methyl group at the bottom. The molecule is known from earlier studies in the literature to exhibit two large-amplitude motions, an intramolecular hydrogen transfer and a methyl torsion. The former motion is particularly interesting because transfer of the hydrogen atom from the hydroxyl to the carbonyl group induces a tautomerization in the molecule, which then triggers a 60° internal rotation of the methyl group. Measurements were carried out by Fourier-transform microwave spectroscopy in the 8-24 GHz frequency range. Theoretical analysis was carried out using a tunneling-rotational Hamiltonian based on a G(12)(m) extended-group-theory formalism. Our global fit of 1015 transitions to 20 molecular parameters gave a root-mean-square deviation of 1.5 kHz. The tunneling splitting of the two J=0 levels arising from a hypothetical pure hydrogen-transfer motion is calculated to be 1310 MHz. The tunneling splitting of the two J=0 levels arising from a hypothetical pure methyl top internal-rotation motion is calculated to be 885 MHz. We have also carried out ab initio calculations, which support the structural parameters determined from our spectroscopic analysis and give estimates of the barriers to the two large-amplitude motions.

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The reaction of N,N-dichloroethanesulfonamide with 1-olefin

Cited by 16 publications

References 10 publications

Precision Lamb-dip infrared spectra of the C–N stretching band of CH3NH2 with a CO2-laser/microwave-sideband spectrometer

Precision Lamb-dip infrared spectra of the C–N stretching band of CH3NH2 with a CO2-laser/microwave-sideband spectrometer

Hard x-ray photoemission spectroscopy in wurtzite-type zinc magnesium oxide solid-solution films grown by pulsed-laser deposition

A microwave study of hydrogen-transfer-triggered methyl-group rotation in 5-methyltropolone

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