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In this work, we have focused on microsolvation of isopropyl cyanide (i-PrCN)as isopropyl cyanide has been recently detected in interstellar space and is ofgreat importance from the astrochemical and bio-chemical point of view for itsbranching carbon chains. Such branches are needed for many molecules crucial tolife, such as the amino acids that build proteins. The phenomenon of theformation of hydrogen bond affects structure, energetic and electric propertiesof microhydrated isopropyl cyanide and this has been explored by using threedifferent quantum chemical models. It is observed that the structuralparameters calculated by the three models display similarities, however modeldependence is evident from equilibrium electronic energies of the clusters.Presence of water molecule has a significant effect on the values of dipolemoments and polarizabilities. Rayleigh intensities which are calculated usingmean polarizibility and polarizibility anisotropy are increased much due to theformation of hydrogen bonding. For CN stretching vibration of isopropylcyanide, intensification of Raman scattering activities are observed uponcomplexation.

Microhydration effect on structural, energetic and light scattering properties of first branched interstellar molecule ( i-PrCN)