School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331, Chongqing, China.
Phys Chem Chem Phys. 2019 Mar 27;21(13):7016-7020. doi: 10.1039/c9cp00055k.
The rotational spectra of the complex formamide-CO2 have been measured and assigned by pulsed jet Fourier transform microwave spectroscopy. Two isomers of the complex have been detected where a CO tetrel bond dominates the interactions, and either N-HO or C-HO forms a secondary linkage. Bader's quantum theory of atoms in molecules and Johnson's non-covalent interaction analyses were applied to unveil the intermolecular binding sites and energetic properties in the complex. Relative intensity measurements on a set of μa-type transitions allowed estimating the relative population of the observed two isomers as NI/NII ≈ 18/1.
已通过脉冲喷射傅里叶变换微波光谱法测量并分配了复合甲酰胺-CO2 的旋转光谱。已检测到复合物的两种异构体，其中 CO 四中心键主导相互作用，而 N-HO 或 C-HO 形成次要键。已应用 Bader 的分子中原子量子理论和 Johnson 的非共价相互作用分析来揭示复合物中的分子间结合位点和能量特性。对一组 μa 型跃迁的相对强度测量允许估计观察到的两种异构体的相对丰度，即 NI/NII ≈ 18/1。
