Two‐Dimensional Anharmonic Oscillator. Application to 2,5‐Dihydrofuran

作者: L. A. Carreira , I. M. Mills , W. B. Person

DOI: 10.1063/1.1677387

关键词: Wave functionFar infraredCross termHigh resolutionAtomic physicsAnharmonicitySurface (mathematics)Symmetry (physics)PhysicsPhysical and Theoretical ChemistryGeneral Physics and Astronomy

摘要: A program has been developed to calculate the energy levels and corresponding wavefunctions for a two‐dimensional anharmonic potential surface of at least C2v symmetry. This employed explain high resolution splittings observed in far infrared spectrum 2,5‐dihydrofuran. The magnitude cross term connecting ring‐twisting ring‐puckering modes 2,5‐dihydrofuran is sufficiently large be significant. determined also suggests that mode may slightly anharmonic.

参考文章(8)
Sunney I. Chan, T. R. Borgers, J. W. Russell, H. L. Strauss, W. D. Gwinn, Trimethylene Oxide. III. Far-Infrared Spectrum and Double-Minimum Vibration Journal of Chemical Physics. ,vol. 44, pp. 1103- 1111 ,(1966) , 10.1063/1.1726794
David O. Harris, Gail G. Engerholm, Chadwick A. Tolman, Alan C. Luntz, Richard A. Keller, Hyunyong Kim, W. D. Gwinn, Ring Puckering in Five‐Membered Rings. I. General Theory The Journal of Chemical Physics. ,vol. 50, pp. 2438- 2445 ,(1969) , 10.1063/1.1671400
Jaan Laane, R. C. Lord, Far‐Infrared Spectra of Ring Compounds. II. The Spectrum and Ring‐Puckering Potential Function of Cyclopentene The Journal of Chemical Physics. ,vol. 47, pp. 4941- 4945 ,(1967) , 10.1063/1.1701743
T. Ueda, T. Shimanouchi, Ring‐Puckering Motion of 2,5‐Dihydrofuran Journal of Chemical Physics. ,vol. 47, pp. 4042- 4047 ,(1967) , 10.1063/1.1701573
Tatsuya Ikeda, R. C. Lord, Thomas B. Malloy, Toyotoshi Ueda, Far‐Infrared Spectra of Ring Compounds. VIII. The Effect of a Finite Central Barrier on Pseudorotation in Five‐Membered Rings The Journal of Chemical Physics. ,vol. 56, pp. 1434- 1439 ,(1972) , 10.1063/1.1677385
J.M.R. Stone, I.M. Mills, Puckering structure in the infra-red spectrum of cyclobutane Molecular Physics. ,vol. 18, pp. 631- 652 ,(1970) , 10.1080/00268977000100701
L. A. Carreira, R. C. Lord, Far‐Infrared Spectra of Ring Compounds. V. Ring‐Puckering Potential Functions of Some Oxygen‐Containing Molecules The Journal of Chemical Physics. ,vol. 51, pp. 3225- 3231 ,(1969) , 10.1063/1.1672499