1-Butyne microwave spectrum, barrier to internal rotation, and molecular dipole moment
作者： B.M. Landsberg , R.D. Suenram
DOI: 10.1016/0022-2852(83)90215-1
关键词: Methyl group 、 1-Butyne 、 Quartic function 、 Hamiltonian (quantum mechanics) 、 Stark effect 、 Atomic physics 、 Nuclear magnetic resonance 、 Excited state 、 Physics 、 Dipole 、 Microwave 、 Physical and Theoretical Chemistry 、 Spectroscopy 、 Atomic and Molecular Physics, and Optics
摘要: Abstract Measurements of rotational transitions 1-butyne have been made in the range ∼20–130 GHz. Both a -type up to J = 46 and b 42 measured fitted Hamiltonian which includes centrifugal distortion terms. In addition five quartic constants, three sextic coefficients had be included reproduce observed frequencies within experimental error. The results analysis are sufficient for prediction all strong throughout millimeterwave range. A barrier internal rotation methyl group 3.260 kcal/mole (1 4.18 kJ/mole) has derived from first excited torsional state. Analysis second-order Stark effect led an accurate determination both μ with 0.763(3) D 0.170(4) D.
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