Electronic structure and normal vibrations of CH3(OCH2CH2)nOCH3-M+-CF3SO3- (n = 2-4, M = Li, Na, and K).

  title={Electronic structure and normal vibrations of CH3(OCH2CH2)nOCH3-M+-CF3SO3- (n = 2-4, M = Li, Na, and K).},
  author={Trupta Kaulgud and Nilesh R. Dhumal and Shridhar P. Gejji},
  journal={The journal of physical chemistry. A},
  volume={110 29},
Electronic structure and the vibrational frequencies of CH(3)(OCH(2)CH(2))(n)OCH(3)-M(+)-CF(3)SO(3)(-) (n = 2-4, M = Li, Na, and K) complexes have been derived from ab initio Hartree-Fock calculations. The metal ion shows varying coordination from 5 to 7 in these complexes. In tetraglyme-lithium triflate, Li(+) binds to one of the oxygens of CF(3)SO(3)(-) (triflate or Tf(-)) unlike for potassium or sodium ions, which possess bidentate coordination. Structures of glyme-MTf complexes thus derived… 
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