01642nas a2200277   4500008004100000022001400041245015700055210006900212260010600281300001000387490000800397520061100405653002101016653001401037653001301051653001801064653001401082653001501096100002101111700002301132700001801155700002001173700001901193700002201212856013001234       2013                        eng d  a1386-142500aStudy of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study0 aStudy of hydration of sarcosine formation of its zwitterion and   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a74-830 v1163 a<p>{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW</p>10aDFT calculations10aHydration10aOligomer10aRaman spectra10aSarcosine10aZwitterion1 aSharma, Poornima1 aSingh, Dheeraj, K.1 aGupta, Vineet1 aAsthana, B., P.1 aMishra, P., C.1 aSingh, Ranjan, K.  uhttps://library.ncl.res.in/content/study-hydration-sarcosine-formation-its-zwitterion-and-their-different-oligomers-aqueous-0