Formaldoxime dimers: Infrared matrix isolation and theoretical study
作者： Barbara Golec , Zofia Mielke
DOI: 10.1016/J.MOLSTRUC.2007.03.049
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摘要: Abstract The infrared spectra of the formaldoxime dimers, trapped in argon matrices at ca. 17 K have been obtained and compared with theoretical provided by MP2/6-311++G(2d,2p) calculations. calculations indicated stability three hydrogen bonded dimers. most stable, centrosymmetric C 2h dimer involves two O H⋯N bonds, other one is stabilized bond less stable H⋯O bond. comparison experimental ones evidences that matrix formed mainly dimer; however there some evidence also very low concentration.
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