Sokolova Maia, Barlow Stephen J, Bondarenko Galina V, Gorbaty Yuri E, Poliakoff Martyn
School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, United Kingdom.
J Phys Chem A. 2006 Mar 23;110(11):3882-5. doi: 10.1021/jp055931h.
Raman spectra of 1-butanol have been obtained at a constant pressure of 500 bar up to 350 degrees C and along isotherms 250, 300, and 350 degrees C up to 600 bar. The purpose of the experiment was to compare responses of Raman and IR absorption spectroscopy to the forming of O-H...O bonds in alcohols. As a result, some important inferences were drawn from the experiment. In particular, it has been estimated quantitatively how the intensity of Raman scattering in the region of the OH band depends on the extent of hydrogen bonding. As might be expected, the dependence is much weaker than in the case of the IR absorption. As was shown, the ratio of integrated intensities of bonded molecules in the absorption and scattering spectra is a constant and does not depend on temperature and density. The effect of cooperativity of hydrogen bonds is confirmed. It was also found that even at high pressures, a noticeable amount of nonbonded molecules exists at room temperature.
在500巴的恒定压力下直至350摄氏度，以及沿着250、300和350摄氏度的等温线直至600巴，已获得1-丁醇的拉曼光谱。该实验的目的是比较拉曼光谱和红外吸收光谱对醇类中O-H...O键形成的响应。结果，从该实验中得出了一些重要推论。特别是，已定量估计了OH带区域中拉曼散射强度如何取决于氢键的程度。正如所预期的那样，这种依赖性比红外吸收的情况要弱得多。结果表明，吸收光谱和散射光谱中键合分子的积分强度之比是一个常数，并且不取决于温度和密度。氢键协同效应得到了证实。还发现，即使在高压下，室温下仍存在相当数量的非键合分子。
