Optimum molecular constants and term values for the <i>X</i><sup>2</sup>Π(ν ≤ 5) and <i>A</i><sup>2</sup>Σ<sup>+</sup>(ν ≤ 3) states of OH

Canadian Journal of Physics - Tập 58 Số 7 - Trang 933-949 - 1980
John A. Coxon

Tóm tắt

Least-squares fits of 1618 A2Σ+–X2Π frequencies, 774 X2Π vibration–rotation frequencies, and 125 microwave frequencies have been made to effective 2Σ+ and 2Π Hamiltonians containing adjustable parameters for each vibrational level. The fitted parameters from each band, some of which included the microwave frequencies simultaneously, have been merged to obtain a set of 13 A ↔ X band origins and 91 single-valued parameters for A2Σ+, ν ≤ 3 and X2Π, ν ≤ 5. The set of parameters reproduces the experimental frequencies with residuals which on the average are only about 1.12 times larger than the estimated precisions of the data. Tables of term values calculated from the merged constants are reported for the two states.

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