The microwave spectrum of the sesamol (CH₂O₂C₆H₃OH) monomer has been collected using CP-FTMW spectroscopy in the 5.5–18.75 GHz region of the electromagnetic spectrum. Density functional theory calculations of the monomer have been performed. B3LYP|cc-pVTZ predicts the global minimum geometry to be s-trans-sesamol where the hydroxyl group is oriented ${180}^{°}$ away from the dioxole ring. A second, local minimum, geometry for s-cis-sesamol was calculated to have the hydroxyl group oriented $0^{°}$ towards the dioxole ring, and the zero-point energy difference between the two geometries is predicted to be 1.4 kJ/mol. Both unique conformers have been identified in the experimental spectrum. In accordance with the predicted dipole moments, only b-type transitions have been observed for s-trans-sesamol, while a- and b-type transitions have been assigned to s-cis-sesamol. The relative intensities in the observed spectrum indicate that the molecular beam contains a higher population of the s-trans-sesamol monomer. Satellite transitions were observed for both sesamol conformers. Treating the parent and satellite transitions as coupled vibrational states, the energy differences and Coriolis coupling constants were determined for each conformer. The magnitude of the coupling constants, the energy difference between the states, and a comparison to a similar state observed in 1,3-benzodioxole indicate that the excited states correspond with CH₂ puckering of the dioxiole ring. The second moments of inertia and their contributions from the ring puckering have been analyzed for a series of functionalized molecules including piperonal, 1,3-benzodioxole and sesamol.

_{芝麻酚 (CH 2} O ₂ C ₆ H ₃ OH) 单体的微波频谱是使用 CP-FTMW 光谱在电磁频谱 5.5–18.75 GHz 区域收集的。已经进行了单体的密度泛函理论计算。B3LYP|cc-pVTZ 预测全局最小几何形状为s-反式芝麻酚，其中羟基定向${180}^{°}$远离间二氧杂环戊烯环。计算出s-顺式芝麻酚的第二个局部最小值几何形状，使羟基定向$0^{°}$朝向间二氧杂环戊烯环，两种几何形状之间的零点能量差预计为 1.4 kJ/mol。两种独特的构象异构体均已在实验光谱中得到鉴定。根据预测的偶极矩，对于s-反式芝麻酚，仅观察到b型跃迁，而s-顺式芝麻酚则属于a 型和b型跃迁。观察到的光谱中的相对强度表明分子束包含较高数量的s-反式-芝麻酚单体。观察到两种芝麻酚构象异构体的卫星转变。将母体和卫星跃迁视为耦合振动状态，确定每个构象异构体的能量差和科里奥利耦合常数。耦合常数的大小、状态之间的能量差以及与1,3-苯并间二氧杂环戊烯中观察到的类似状态的比较表明激发态与间二氧杂环戊烯环的CH 2 褶皱相对应_。分析了一系列功能化分子（包括胡椒醛、1,3-苯并间二氧杂环戊烯和芝麻酚）的第二惯性矩及其环褶皱的贡献。