title: Study of the CH3 H2O radical complex stabilized in helium nanodroplets.
abstract: The weakly bound CH(3)H(2)O radical complex has been investigated by infrared laser spectroscopy. The complex is stabilized in helium nanodroplets and prepared by sequential pick up of a methyl radical and water molecule. Partially rotationally resolved spectra corresponding to the v = 1 <-- 0 excitation of the symmetric H(2)O stretching vibration within the complex show a significant red shift (25.06 cm(-1)) when compared with the symmetric stretch of H(2)O monomer, in agreement with the hydrogen bonded like structure derived by theory. Additional broad features were observed in the region predicted by theory for the antisymmetric stretch supporting our assignment. The B rotational constant is found to be 3.03 times smaller than predicted by ab initio calculations, with the reduction being attributed to the effects of helium solvation. The permanent electric dipole moment of the complex is experimentally determined to be 2.1 +/- 0.3 D using Stark spectroscopy. Ab initio calculations are also reported that provide support to the experimental results, as well as investigate the nature of large amplitude vibrational motion within the complex.
authors: Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599, USA. s.rudic@bristol.ac.uk
authors: Svemir
authors: S
authors: Rudić
authors: Jeremy M
authors: JM
authors: Merritt
authors: Roger E
authors: RE
authors: Miller
mesh_terms: D003198:Computer Simulation; D005609:Free Radicals / Q000737:chemistry*; D006371:Helium / Q000737:chemistry*; D006860:Hydrogen Bonding; D049329:Nanostructures / Q000737:chemistry*; D009584:Nitrogen / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D014867:Water / Q000737:chemistry*
chemical_list: D005609:Free Radicals; D014867:Water; D006371:Helium; D009584:Nitrogen