Misochko E. Ya. Infrared and EPR spectroscopic study of open-shell reactive intermediates: F + NH3 in solid argon / E. Ya. Misochko, I. U. Goldshleger, A. V. Akimov, Ch. A. Wight // Физика низ. температур. - 2000. - 26, № 9/10. - С. 981-991. - Библиогр.: 43 назв. - англ.Mobile F atoms react with NH3 molecules in an argon matrix at temperatures T = 7 - 35 K. The open-shell NH2 - HF complex was observed by EPR and infrared spectroscopies as the main product of this reaction. The hyperfine constants of the NH2 - HF complex aN = 1,20 mT, aH = 2,40 mT, and aF = 0,70 mT were determined from the EPR spectra of samples using NH3, 15NH3 and ND3 isotopomers. Prominent features of the infrared spectrum of NH2 - HF are a strongly red-shifted HF stretching mode (DELTA nu approx - 720 cm-1 relative to that for isolated HF) and strong absorptions at 791 and 798 cm-1 attributed to HF librational modes in the complex. Quantum chemistry calculations reveal that the hydrogen-bonded NH2 - HF complex has a planar C2 nu structure and a binding energy of 51 kJ/mol. Calculated hyperfine constants and vibrational frequences of the complex are in good agreement with those observed in the EPR and IR experiments. Індекс рубрикатора НБУВ: В344-4
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