Li Weixing, Spada Lorenzo, Evangelisti Luca, Caminati Walther
Dipartimento di Chimica "Giacomo Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Dipartimento di Chimica "Giacomo Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Jun 5;254:119621. doi: 10.1016/j.saa.2021.119621. Epub 2021 Feb 26.
The rotational spectra of the parent and eight isotopologues of the 1:1 complex formic acid - tert-butyl alcohol (FA-TBA) have been measured by pulsed jet Fourier transform microwave spectroscopy. The spectra have been observed in the supersonic expansion of a mixture of FA and TBA in Helium, differently with respect to the mixtures of FA with primary and secondary alcohols, which undergo the esterification reaction upon supersonic expansion. In the complex, the two subunits are linked to each other by two different O-H···O hydrogen bonds (HB) in which FA and TBA are alternate their roles of bond acceptor and donor. Upon H → D substitution of the corresponding O-H···O HB, a small Ubbelohde effect is observed.
通过脉冲喷射傅里叶变换微波光谱法测量了甲酸-叔丁醇（FA-TBA）1:1配合物母体及其八种同位素变体的转动光谱。这些光谱是在氦气中FA和TBA混合物的超声速膨胀中观测到的，这与FA与伯醇和仲醇的混合物不同，后者在超声速膨胀时会发生酯化反应。在该配合物中，两个亚基通过两种不同的O-H···O氢键（HB）相互连接，其中FA和TBA交替充当氢键受体和供体的角色。在相应的O-H···O HB发生H→D取代时，观察到了小的乌氏效应。
