Study of formamide molecular clusters by Raman spectroscopy and quantum-chemical calculations
H. HushvaktovDepartment of Physics, Samarkand State University, Samarkand, UzbekistanBekzod KhudaykulovDepartment of Physics, Samarkand State University, Samarkand, UzbekistanА. JumabaevDepartment of Physics, Samarkand State University, Samarkand, UzbekistanI. DoroshenkoDepartment of Physics, Taras Shevchenko National University of Kyiv, Kyiv, UkraineА. AbsanovDepartment of Physics, Samarkand State University, Samarkand, UzbekistanG. MurodovDepartment of Physics, Samarkand State University, Samarkand, Uzbekistan
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Annotatsiya
Polarized Raman spectra of liquid formamide in the region of C = O stretching vibration band were investigated. Quantum-chemical simulation of different formamide clusters from a monomer to a pentamer has been carried out in B3LYP/6-311++ G(2d, p) approximation with account of hydrogen bonds formation. The results of calculation were used to clarify the complex shape of the C = O stretching Raman band.
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