Botter R, Rosenstock H M
Institute for Materials Research, National Bureau of Standards, Washington, D.C. 20234.
J Res Natl Bur Stand A Phys Chem. 1969 May-Jun;73A(3):313-319. doi: 10.6028/jres.073A.027.
Franck-Condon factors have been calculated for vertical transitions of HO and DO involving both bond length and angle changes. It is shown that even in the harmonic oscillator approximation different Franek-Condon factors are obtained for positive and negative angle changes. The results are used to obtain the geometry of the ion ground state. Satisfactory agreement is obtained for the isotope effect on the vibrational transition probabilities. The effects of anharmonicity are discussed semi-quantitatively.
已计算了涉及键长和角度变化的HO和DO垂直跃迁的弗兰克-康登因子。结果表明，即使在简谐振子近似下，正负角度变化也会得到不同的弗兰克-康登因子。这些结果被用于获得离子基态的几何结构。对于同位素对振动跃迁概率的影响，得到了令人满意的一致性。对非谐性效应进行了半定量讨论。
