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• W2063326344 abstract "The molecular of tert-butyl alcohol (TBA) and tert-butyl methyl ether (TBME) have been determined by gas electron diffraction. Vibrational spectra have been measured for TBME. Normal coordinate analyses have been performed to obtain harmonic force fields and to calculate mean amplitudes and shrinkage corrections. Principal bond lengths (rg) and angles (rα are: r(OH) = 1.016(14) Å, r(CO) = 1.446(4) Å, r(CC) - 1.529(2) Å, ∠COH = 108(3)° and ∠CCC = 110.9(2)° for TBA r(C2O) = 1.448(4) Å, r(CC) = 1.532(2) Å, ∠COC = 118.9(14)° and ∠CCC = 111.1(2)° for TBME. The results have been compared with values from molecular mechanics and SCF MO calculations. The observed geometry for TBA is consistent with the rotational constant reported by Valenzuela. The rg(CO) value of TBA is about 0.02 Å larger than that of methanol. The values of rg(C2O) and ∠COC of TBME are about 0.03 Å and 7° larger than the corresponding values of dimethyl ether and ethyl methyl ether." @default.
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• W2063326344 date "1988-02-01" @default.
• W2063326344 modified "2023-09-23" @default.
• W2063326344 title "Molecular structures of tert-butyl alcohol and tert-butyl methyl ether as studied by gas electron diffraction combined with vibrational spectroscopy" @default.
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• W2063326344 doi "https://doi.org/10.1016/0022-2860(88)87022-4" @default.
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