伸缩力常数是了解化学键强度和分子红外光谱基频大小的物理量,严格的量子化学计算,工作量很大,且能得准确值的很少.有些纯经验式虽较准确,但缺少明确的物理基础. 与键能可表示为共价与离子两部分之和相类似,我们认为A-B分子间势能函数也可写作如下形式: Telescopic force constants are physical quantities for understanding chemical bond strength and fundamental frequency of molecular infrared spectra. Strict quantum chemical calculations require a large amount of work and provide little accurate value. Some pure empirical formulas are accurate but lack clear physical Basis. And bond energy can be expressed as covalent and ion similar to the sum of the two parts, we think that AB potential energy function can also be written as follows: