Abstract:
The work characterizes the Raman spectrum of the molecule C13H20BeLi2SeSi. Calculations obtained in the ab initio RHF (Restrict Hartree-Fock) method, on the set of basis used indicate that the simulated molecule C13H20BeLi2SeSi features the structure polar-apolar-polar predominant. The set of basis used that have are CC-pVTZ and 6-311G** (3df, 3pd). In the CC-pVTZ base set, the charge density in relation to 6-311G** (3df, 3pd) is 50% lower. The length of the molecule C13H20BeLi2SeSi is of 15.799Å. The infrared spectra for absorbance and transmittance and their frequency (cm-1) were obtained in the set of bases used. The structure of the C13H20BeLi2SeSi is a bio-inorganic seed molecule for a biomembrane genesis that defies the current concepts of a protective mantle structure of a cell such as biomenbrane to date is promising, challenging. Leaving to the Biochemists their experimental synthesis. Structures of a liquid crystal such as a new membrane may occur, micelles.
Keywords:
Raman spectroscopy, Hartree-Fock method.