By a comparative study of the concentration-dependent IR spectra of methyl benzoate (MB)/methanol-d₄ and MB/n-hexane mixtures, it is found that the infrared wavenumber ($\tilde{\upsilon }$) of ester group (OCO) of MB in the former system decreased exponentially with the increase of mole fraction of MB (x₁), while that of the latter system decreased linearly, suggesting that H-bonding interaction plays an important role in the microstructure of MB/methanol-d₄ mixture. Therefore, to explore the microstructure and characterize the strength of H-bonding interaction of MB/methanol mixture, the excess infrared wavenumber of a group (${\tilde{\upsilon }}_{\mathit{group}}^E$) is proposed, showing that ${\tilde{\upsilon }}_{O-D}^E$ of methanol-d₄ presents an S shape with a minimum value at x₁ ≈ 0.4 and a maximum value at x₁ ≈ 0.8, respectively. Furthermore, the absolute value of ${\tilde{\upsilon }}_{O-D}^E$ (|${\tilde{\upsilon }}_{O-D}^E$|) of the former is greater than that of the latter, suggesting that H-bonding interaction in methanol-d₄ molecules is stronger than that between methanol-d₄ and MB. While both ${\tilde{\upsilon }}_{C=O}^E$ and ${\tilde{\upsilon }}_{C-O}^E$ of MB show a negative deviation with minimum values at x₁ ≈ 0.4, and |${\tilde{\upsilon }}_{C=O}^E$| is larger than |${\tilde{\upsilon }}_{C-O}^E$|, indicating that CO is directly involved in H-bonding interaction with OD, resulting in the change of ${\tilde{\upsilon }}_{C-O}^E$ through the electronic conjugation effect. To confirm the microstructure obtained from IR spectra, densities, speeds of sound, and viscosities of MB/methanol mixture are measured and excess properties are calculated. The results show that both excess molar volumes and isentropic compressibility deviations have a negative deviation with a minimum value at x₁ ≈ 0.4, which is good consistent with x₁ corresponding to the minimum value of ${\tilde{\upsilon }}_{O-D}^E$, ${\tilde{\upsilon }}_{C=O}^E$, and ${\tilde{\upsilon }}_{C-O}^E$, respectively. Moreover, viscosity deviations exhibit a negative deviation with a minimum value at x₁ ≈ 0.8, which is good consistent with x₁ corresponding to the maximum value of ${\tilde{\upsilon }}_{O-D}^E$.

由苯甲酸甲酯的浓度依赖性IR光谱（MB）进行比较研究/甲醇d ₄和MB / Ñ己烷混合物时，发现该红外波数（$\stackrel{〜}{\upsilon }$前者系统中MB的酯基（O C O）随MB（x ₁）摩尔分数的增加而呈指数下降，而后者系统中的酯基呈线性下降，这表明氢键相互作用在其中MB /甲醇-d ₄混合物的微观结构。因此，为探索MB /甲醇混合物的微观结构并表征其氢键相互作用的强度，需要对一组过量的红外波进行分析（${\stackrel{〜}{\upsilon }}_{\mathit{组}}^{Ë}$），表明 ${\stackrel{〜}{\upsilon }}_{Ø-d}^{Ë}$的甲醇ð _4所呈现S形与在最小值X ₁  ≈0.4和最大值在X ₁  ≈0.8，分别。此外，绝对值${\stackrel{〜}{\upsilon }}_{Ø-d}^{Ë}$ （|${\stackrel{〜}{\upsilon }}_{Ø-d}^{Ë}$前者的|）大于后者，表明甲醇-d ₄分子中的氢键相互作用强于甲醇-d ₄和MB之间的氢键相互作用。虽然两者${\stackrel{〜}{\upsilon }}_{C=Ø}^{Ë}$ 和 ${\stackrel{〜}{\upsilon }}_{C-Ø}^{Ë}$MB的显示在与最小值负偏差X ₁  ≈0.4，|${\stackrel{〜}{\upsilon }}_{C=Ø}^{Ë}$| 大于|${\stackrel{〜}{\upsilon }}_{C-Ø}^{Ë}$|，表明C O直接参与与O D的氢键相互作用，从而导致${\stackrel{〜}{\upsilon }}_{C-Ø}^{Ë}$通过电子共轭效应。为了确认从红外光谱获得的微观结构，测量了MB /甲醇混合物的密度，声速和粘度，并计算了过量的特性。结果表明，二者过量摩尔体积和等熵压缩的偏差与在最小值的负偏差X ₁  ≈0.4，这是很好的符合X ₁对应的最小值${\stackrel{〜}{\upsilon }}_{Ø-d}^{Ë}$， ${\stackrel{〜}{\upsilon }}_{C=Ø}^{Ë}$和 ${\stackrel{〜}{\upsilon }}_{C-Ø}^{Ë}$， 分别。此外，粘度的偏差表现出与在最小值的负偏差X ₁  ≈0.8，这是很好的符合X ₁对应的最大值${\stackrel{〜}{\upsilon }}_{Ø-d}^{Ë}$。