Vibrational spectroscopy and ab initio calculations on alkyl xanthates
- Univ. of California, Los Angeles, CA (United States)
Alkyl xanthates are surface-active agents used in mineral flotation and metal recovery. The mechanism by which alkyl xanthates interact with mineral surfaces, allowing for the flotation process to be effective, is not fully understood. This problem has motivated spectroscopic studies of the interactions of alkyl xanthates with mineral surfaces. The challenge in vibrational spectroscopy of alkyl xanthates is to determine the vibrational assignments. Through the use of ab initio methods, we have calculated the vibrational frequencies of metal alkyl xanthates at the HF/6-31G(*) level of theory. These calculations, combined with surface-enhanced Raman spectra and published infrared reflectance absorption spectra, allow us to determine the adsorption mechanism of alkyl xanthates onto metal surfaces. We will present detailed vibrational assignments of metal alkyl xanthates, and a model that describes the mechanism of alkyl xanthate adsorption.
- OSTI ID:
- 126862
- Report Number(s):
- CONF-950402--
- Country of Publication:
- United States
- Language:
- English
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