论文标题
在84至111 GHz之内的天文学等异戊烷的全面旋转研究
A comprehensive rotational study of astronomical iso-pentane within 84 to 111 GHz
论文作者
论文摘要
Alma（Atacama大毫米/亚毫米阵列）的旋转线调查最近揭示了3毫米大气窗口中存在I-C3H7CN（I-PRCN）和N-C3H7CN（N-PRCN）的旋转线调查。这是线性直链分子的第一个星际检测。从这个角度来看，我们在相同频率范围内报告了C5H12异构体组的旋转光谱。我们对光谱参数进行了量子化学计算。该物种的纯旋转光谱已使用PGOPHER程序进行了模拟。该分子的旋转光谱使其成为未来天文检测的良好候选者，因为可以将无线电线计算为MM/Sub-MM波区域的高精度。
The rotational line survey by ALMA (Atacama Large Millimeter/submillimeter Array) recently revealed the presence of i-C3H7CN (i-PrCN) and n-C3H7CN (n-PrCN) in 3-mm atmospheric window between 84 to 111 GHz towards the hot core region Sagittarius B2(N) (Sgr B2(N)). This was the first interstellar detection of a linear straight chain molecule. In this light, we report the rotational spectra of C5H12 isomeric group in the same frequency range. We performed quantum chemical calculations for spectroscopic parameters. The pure rotational spectrum of the species has been simulated using the PGOPHER program. The rotational spectrum of this molecule makes it a good candidate for future astronomical detections since the radio lines can be calculated to very high accuracy in mm/sub-mm wave region.
