Far-infrared and Raman study of monohydrogenated cyclopentene-3-h and -4-h ring puckering and ring twisting in the gas phase

Cavagnat, D.; Banisaeid-Vahedie, S.; Grignon‐Dubois, Micheline

doi:10.1021/j100166a032

Cited by 9 publications

(23 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Cyclopentene-4,4,5,5- d 4 (cyclopentene- d 4 ) was purchased at MSD and monohydrogenated cyclopentene (cyclopentene-3h 1 ) was synthesized by the organic route according to the procedure described in ref . The products were dried with sodium filaments, degassed by the freeze pump thaw method, and transferred under vacuum into the cells.…”

Section: Methodsmentioning

confidence: 99%

High Vibrational State Energy Redistribution in Two Deuterated Cyclopentenes

2000

Self Cite

View full text Add to dashboard Cite

The high CH bond stretching vibrational states spectra (from Δv = 1 to 6) are presented for two isotopomers of cyclopentene: cyclopentene-1,2,3,4,4,5,5-d 7 and cyclopentene-4,4,5,5-d 4. They are analyzed simultaneously with a model Hamiltonian expressed in internal curvilinear coordinates. Because of the size of the molecules, only the CH2 or CHD chromophore is considered in the calculations (two bond stretches and five angle deformations). The results show a reasonable agreement between the experimental and calculated spectra for the two molecules with the use of the same anharmonic potential.

show abstract

Section: Methodsmentioning

confidence: 99%

High Vibrational State Energy Redistribution in Two Deuterated Cyclopentenes

2000

Self Cite

View full text Add to dashboard Cite

show abstract

“…Monohydrogenated cyclopentene -3-hl (3-HCsD7) was synthesized by the organotin route according to the procedure described in ref 40. Isotopic purity was higher than 96%.…”

Section: Methodsmentioning

confidence: 99%

Ring Puckering and CH Stretching Spectra. 2. High Vibrational States of Gaseous Monohydrogenated Cyclopentene-3-h1

Rodin-Bercion¹,

Cavagnat²,

Lespade³

et al. 1995

J. Phys. Chem.

Self Cite

View full text Add to dashboard Cite

The excited vibrational states of gaseous cyclopentene 3-HCsD7 have been measured up to Av = 7. The second overtone presents essentially two main absorptions corresponding to two distinct conformers. The higher overtones are much perturbed by Fermi resonances with low-energy modes. The contribution of two types of couplings to the ring-puckering motion and to isoenergetic states involving low-energy modes are analyzed and modeled. Through the reconstruction of the spectra, the predominant pathways of the intramolecular vibrational redistribution of the energy (IVR) are discussed.

show abstract

“…37,38 A vibrational contribution to the potential barrier has also been pointed out in the spectroscopic studies of gaseous monodeuterated (3-and 4-DC5H7)17,18 and monohydrogenated cyclopentenes (3-and 4-HC5D7). [19][20][21] The isotopic monosubstitution in the allylic positions is shown to induce an asymmetry not only in the kinetic energy function but also in the potential energy function which takes the commonly used form V(x) = V2X2 + V3X3 + V4X4,39-41 where the Vi term, which accounts for the fact that the planar conformation no longer corresponds to the potential maximum, is neglected. Two spectroscopically distinct conformers for each isotopomer are thus produced,18-21 the conformer with a CH bond in the axial position being the most stable.…”

Section: Introductionmentioning

confidence: 99%