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THREE-DIMENSIONAL REPRESENTATION FOR THE INTERACTION OF LOW-FREQUENCY MODES WITH THE RING-PUCKERING OF 1,3-DISILACYCLOBUTANE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/11654

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Title: THREE-DIMENSIONAL REPRESENTATION FOR THE INTERACTION OF LOW-FREQUENCY MODES WITH THE RING-PUCKERING OF 1,3-DISILACYCLOBUTANE
Creators: Killough, P. M.; Irwin, R. M.; Laane, J.
Issue Date: 1981
Abstract: Analysis of the low-frequency infrared and Raman spectra of 1,3-disilacyclobutane and its $d_{4}$ derivative previously demonstrated that the ring-puckering vibration for this nonplanar molecule was coupled to the $SiH_{2}$ in-phase rocking $motion.^{1}$ Since the $SiH_{2}$ rock and ring deformation modes both give rise to combination band sequences with the ring-puckering, it is possible to determine the ring-puckering energy levels for the excited states of these vibrations. Such data is useful for investigating the interaction of the ring-puckering with the other modes. We have developed a computer program to calculate the vibrational energy levels for a three-dimensional potential energy function. This has, therefore, enabled us to evaluate the effect of the nearly harmonic $SiH_{2}$ rock and ring deformation vibrations on the highly anharmonic ring-puckering mode. The three-dimensional provided a satisfactory representation for these three low-frequency vibrations and resulted in an excellant correlation between experiemental and theoretical values.
URI: http://hdl.handle.net/1811/11654
Other Identifiers: 1981-TA-7
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