Department of Chemistry, Wesleyan University , 52 Lawn Avenue, Middletown, Connecticut 06459-0180, United States.
J Phys Chem A. 2013 Dec 19;117(50):13691-5. doi: 10.1021/jp4077036. Epub 2013 Oct 3.
The rotational spectra of cyclohexene oxide and its van der Waals complex with argon have been observed with a Balle-Flygare type pulsed jet Fourier transform microwave spectrometer in the 6 to 20 GHz region. This work improves the existing rotational and quartic centrifugal distortion constants of cyclohexene oxide, its six singly substituted (13)C, and the (18)O isotopologue. In addition, the (17)O isotopologue was observed in natural abundance. The quadrupole coupling constants for the (17)O isotopologue are χ(aa) = 8.855(5), χ(bb) = -4.560(4), and χ(cc) = -4.296(4) MHz. The argon-(12)C6H10(16)O complex has rotational constants of A = 2146.4825(2), B = 908.64292(8), and C = 859.00320(8) MHz. Additionally, the six unique singly substituted (13)C isotopologues of the argon complex are reported here. The position of the argon that is consistent with the parent and six (13)C complex rotational constants is above the ring on the side opposite the epoxide.
环氧化环己烯及其与氩的范德华复合物的旋转光谱已在 6 至 20 GHz 范围内使用 Balle-Flygare 型脉冲射流傅里叶变换微波光谱仪进行了观察。这项工作改进了现有的环氧化环己烯及其六个单取代 (13)C 和 (18)O 同位素的旋转和四次离心畸变常数。此外，还观察到了天然丰度的 (17)O 同位素。(17)O 同位素的四极耦合常数为 χ(aa) = 8.855(5)、χ(bb) = -4.560(4)和 χ(cc) = -4.296(4)MHz。氩-(12)C6H10(16)O 复合物的旋转常数为 A = 2146.4825(2)、B = 908.64292(8)和 C = 859.00320(8)MHz。此外，还报道了氩复合物的六个独特的单取代 (13)C 同位素。与母体和六个 (13)C 复合物旋转常数一致的氩原子的位置位于环氧化物相反一侧的环上方。
