The rotational spectrum of thiazole (c-C₃H₃NS, C_s, μ_a = 1.3 D, μ_b = 0.97 D) from 130 to 375 GHz and high-resolution infrared spectrum from 300 to 1300 cm⁻¹ were obtained and analyzed. Nearly 4700 new, pure-rotational transitions were measured for the ground vibrational state, as well as over 1400 transitions for each of its three lowest-energy vibrationally excited states (ν₁₈, ν₁₇, and ν₁₃). A total of over 5500 rotationally resolved, infrared transitions were measured for fundamentals ν₁₇ and ν₁₃, which form a Coriolis-coupled dyad. Transitions for each of these vibrational states of thiazole were fit to a sextic, A-reduced Hamiltonian in the I^r representation. Computed CCSD(T) values of the spectroscopic constants of thiazole show remarkable agreement with the experimentally determined values. Deuterium enrichment of thiazole allowed for the observation of the ground state and first fundamental (ν₁₈) for three isotopic thiazoles. The direct impact on ν₁₈ by isotopic substitution at C2 and C5 is observed. The combined rotational and high-resolution IR data allowed for an excellent fit of the Coriolis-coupled dyad of ν₁₇ and ν₁₃, which includes more than 60 nominal interstate transitions. Some of the measured resonant transitions are displaced by more than 30 GHz. The least-squares fit yielded six Coriolis coupling terms ($G_a$, $G_a^J$, $G_a^K$, $G_b$, $G_b^J$, and $G_b^K$) and very accurate measurements of the ν₁₇ and ν₁₃ band origins, 603.8511589 (17) cm⁻¹ and 611.2214645 (18) cm⁻¹, respectively. Collectively, these data provide reliable spectroscopic constants that can be used to predict the rotational spectra of thiazole up to 360 GHz.

 获得了 130 至 375 GHz的噻唑旋转光谱 ( c -C ₃ H ₃ NS, C _s , μ _a  = 1.3 D, μ _b = 0.97 D) 和 300 至 1300 cm ^-1的高分辨率红外光谱，并分析了。为地面振动态测量了近 4700 个新的纯旋转跃迁，以及其三个最低能量振动激发态（ν ₁₈、ν ₁₇和 ν ₁₃）中每一个的 1400 多个跃迁。对基波 ν ₁₇和 ν ₁₃总共测量了超过 5500 个旋转分辨的红外跃迁，形成科里奥利耦合二元组。噻唑的这些振动状态中的每一个的跃迁都适合 I ^r表示中的六性、A 约化哈密顿量。计算得到的噻唑光谱常数的 CCSD(T) 值与实验确定的值非常一致。噻唑的氘富集允许观察三种同位素噻唑的基态和第一基态 (ν ₁₈ )。观察到 C2 和 C5 处同位素置换对 ν ₁₈的直接影响。组合的旋转和高分辨率红外数据允许 ν ₁₇和 ν ₁₃的科里奥利耦合二元组的极好拟合，其中包括 60 多个名义州际转换。一些测量的谐振跃迁位移超过 30 GHz。最小二乘拟合产生了六个科里奥利耦合项（$G_{\mathrm{一种}}$, $G_{\mathrm{一种}}^J$, $G_{\mathrm{一种}}^{钾}$, $G_{乙}$, $G_{乙}^J$， 和 $G_{乙}^{钾}$) 以及对 ν ₁₇和 ν ₁₃带原点的非常准确的测量，分别为603.8511589 (17) cm ^-1和 611.2214645 (18) cm ^-1。总的来说，这些数据提供了可靠的光谱常数，可用于预测高达 360 GHz 的噻唑旋转光谱。