The pure rotational spectrum of the complex of difluoromethane with formamide was investigated by means of microwave spectroscopy supplemented with theoretical calculations. The hyperfine structure arising from the ¹⁴N nuclear quadrupole coupling effect was completely resolved. The most stable isomer that displays the C_s symmetry with the ∠HCH angle of difluoromethane being bisected by the ab-plane of formamide was detected. The two moieties in the detected isomer are connected via one N–H⋯F and one bifurcated CH₂⋯O weak hydrogen bonds confirmed by the non-covalent interaction plot and natural bond orbital analyses. The distances of the NH⋯F and CH₂⋯O interactions were determined to be 2.140(14) Å and 2.749(14) Å, respectively. The NH⋯F bond angle was determined to be 150.7°. Symmetry-adapted perturbation theory analysis indicates that the electrostatic component is the largest contributor to the total attractive interaction energy of the difluoromethane⋯formamide complex.

通过微波光谱法和理论计算，研究了二氟甲烷与甲酰胺的配合物的纯旋转光谱。完全解析了由¹⁴ N核四极耦合效应产生的超精细结构。最稳定的异构体，显示Ç_小号与二氟甲烷的∠HCH角对称性由等分的AB检测甲酰胺-平面。通过非共价相互作用图和自然键轨道分析证实，检测到的异构体中的两个部分通过一个N-H⋯F和一个分叉的CH _{2 =} O弱氢键相连。N H⋯F和CH ₂的距离⋯O相互作用确定为2.140（14）Å和2.749（14）Å。N H⋯F键角确定为150.7°。适应对称性的扰动理论分析表明，静电成分是二氟甲烷⋯甲酰胺络合物总吸引相互作用能的最大贡献者。