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- W2035162860 abstract "The microwave spectrum of the normal isotopic species of isocyanocyclopropane and its three unique mono-substituted 13C isotopic varieties have been investigated in their natural isotopic abundances. For the normal isotopic species, Stark modulation and RFMDR techniques lead to the following rotational constants: A=15 827.303±0.009 MHz, B=3734.004±0.002 MHz, and C=3515.892±0.002 MHz. These data, along with those for the three isotopic species, lead to the following heavy atom structural parameters: C1C2=1.521±0.007 Å, C2C3=1.513±0.005 Å, C1N=1.377±0.008 Å, and C≡N=1.176±0.005 Å. To within a precision of ±1°, the C–N≡C group is linear and is inclined at an angle of 123.4±0.6° to the plane of the ring. The structural parameters are compared to those of related molecules and interpreted in terms of a frontier molecular orbital model for the π conjugation of the cyclopropyl ring." @default.
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- W2035162860 date "1984-12-15" @default.
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- W2035162860 title "Microwave spectrum, structure, and π conjugation of isocyanocyclopropane" @default.
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- W2035162860 doi "https://doi.org/10.1063/1.447681" @default.
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