Hydrogen bonding in SH⋯N systems has received little attention compared to other hydrogen bond motifs. To characterise SH⋯N bonding, infrared spectra of the most fundamental SH⋯N system—the H₂S·NH₃ complex—were recorded in solid argon. These experiments were complemented by high level ab initio and density functional theory calculations. The H₂S symmetric stretch was observed to shift by −155.3 cm⁻¹ when mixed with NH₃, while the NH₃ umbrella mode was found to shift by +31.8 cm⁻¹. These, as well as deuterium and ¹⁵$\text{N}$ isotopologue studies indicated the formation of a complex. The structure of the H₂S·NH₃ complex was determined to be almost identical to that of the H₂O·NH₃ complex, with a nearly linear SH⋯N bond. A binding energy of 8.6 kJ mol⁻¹ (720 cm⁻¹) was calculated at the CCSD(T) level of theory extrapolated to the complete basis set limit. Anharmonic frequency calculations at the DSD-PBEP86-D3BJ/aug-cc-pV(D+d)Z level of theory produced frequencies with a RMSD of 13 cm⁻¹ for the complex, relative to the experimental values. Comparison with previous work showed that the SH⋯N bond is weaker in H₂S·NH₃ than the OH⋯N bond in the H₂O·NH₃ system.

与其他氢键基序相比，S H⋯N系统中的氢键很少受到关注。为了表征S H⋯N键，最基本的S H⋯N系统H ₂ S·NH _3配合物的红外光谱记录在固体氩气中。这些实验辅以高级从头算和密度泛函理论计算。当与NH ₃混合时，观察到H ₂ S对称拉伸移动了-155.3 cm ^-1，而发现NH ₃伞模移动了+31.8 cm ^-1。这些以及氘和¹⁵$\text{ñ}$同位素研究表明形成了复合物。经测定，H ₂ S·NH ₃络合物的结构与具有几乎线性的S H⋯N键的H ₂ O·NH ₃络合物的结构几乎相同。在理论上的CCSD（T）水平外推至完全基准设定极限，计算出8.6 kJ mol ^-1（720 cm ^-1）的结合能。理论上，在DSD-PBEP86-D3BJ / aug-cc-pV（D + d）Z级别进行非谐频率计算时，相对于实验值，复合物的RMSD为13 cm ^-1。与以前的工作比较表明，S H⋯N键在H ₂ S·NH _3中较弱H ₂ O·NH ₃系统中的O H⋯N键。