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使用高灵敏的光腔衰荡光谱（Ｃａｖｉｔｙ Ｒｉｎｇ Ｄｏｗｎ Ｓｐｅｃｔｒｏｃｏｐｙ）技术测出了异丙醇的Ｏ－Ｈ 伸缩ｖ＝４、５振动泛频光谱，每个振动能级都有三个吸收峰，被归属为分子构像的Ｏ－Ｈ伸缩泛频吸 收。给出了光腔衰荡光谱的振动泛频吸收的谱带强度公式，并求得分子不同构像在不同振动能级的 Ｏ－Ｈ伸缩泛频吸收的谱带强度；同时利用局域模理论，求得分子各Ｏ—Ｈ伸缩局域模振子的机械 频率（Ｘ_１）、非谐性（Ｘ_２）以及解离能（Ｄ）。用密度泛函（ＤＦＴ）Ｂ３ＬＹＰ／６－３１＋Ｇ~＊理论方法优化了分子 的各种可能构像，验证了分子存在反式（ｔｒａｎｓ）和偏转（ｇａｕｃｈｅ）两种稳定构像，计算的分子的Ｏ—Ｈ 伸缩频率及构像稳定性同实验结果是一致的。
Highly sensitive Cavity Ring Down Spectrocopy technique was used to determine the O-H stretching v = 4,5 vibrations of isopropanol. There are three absorption peaks for each vibrational energy level. O-H stretch-swept absorption for molecular conformation. The formula of the intensity of the band-pass vibration absorption in the optical cavity ring-down spectrum is given and the band intensities of O-H stretching-frequency absorption at different vibrational levels of different molecular conformations of the molecule are obtained. At the same time, The mechanical frequency (X_1), the anharmonicity (X_2) and the dissociation energy (D) were calculated for each O-H stretching mode local oscillator. The possible conformations of the molecule were optimized by using the density functional theory (DFT) B3LYP / 6-31 + G ~ * theory. The two stable conformers of the trans and the deflection of the molecule were validated. The calculated molecular O-H stretching frequency and conformational stability with the experimental results are consistent.