The high-resolution microwave rotational spectrum was measured for 2-aminopyridine in the 4.5–13.2 GHz range using a pulsed beam Fourier transform microwave spectrometer. The measured transitions for the parent isotopologue in the 0⁺ vibrational state of the amino group inversion vibration were used to determine accurate rotational constants and quadrupole coupling constants for the two ¹⁴N atoms in the molecule. The molecular parameters determined for the 2-aminopyridine in 0⁺ vibrational state have the following values: A = 5780.374(1) MHz, B = 2733.5017(3) MHz, C = 1857.6768(3) MHz, 1.5χ_aa (¹⁴N₁) = 3.5789(45) MHz, 0.25(χ_bb – χ_cc) (¹⁴N₁) = 1.5033(24)MHz, 1.5χ_aa (¹⁴N₂) = -0.0958(70) MHz, and 0.25(χ_bb – χ_cc) (¹⁴N₂) = −1.1615(21) MHz. The measured quadrupole coupling constants are in excellent agreement with those calculated using different computational methods and basis sets. It is noted that the calculation using the MP2 functional with cc-pvDz basis set closely reproduces the experimental values for quadrupole coupling constants for the two ¹⁴N atoms.

使用脉冲束傅立叶变换微波光谱仪在4.5–13.2 GHz范围内测量了2-氨基吡啶的高分辨率微波旋转光谱。在氨基反转振动的0 ⁺振动状态下，测得的母体同位素异构体的跃迁用于确定分子中两个¹⁴ N原子的精确旋转常数和四极偶合常数。在用于2-氨基吡啶确定的分子参数0 ⁺振动状态具有以下值：A = 5780.374（1）兆赫，B = 2733.5017（3）兆赫，C = 1857.6768（3）兆赫，1.5χ _AA（¹⁴ Ñ ₁）= 3.5789（45）兆赫，0.25（χ _BB - χ_立方厘米）（¹⁴ Ñ ₁）= 1.5033（24）MHz的，1.5χ _AA（¹⁴ Ñ ₂）= -0.0958（70）MHz，而0.25（χ _BB - χ_毫升）（¹⁴ Ñ ₂）= -1.1615（21）MHz的。测得的四极耦合常数与使用不同计算方法和基础集计算出的常数非常吻合。注意，使用具有cc-pvDz基础集的MP2功能的计算紧密地再现了两个¹⁴ N原子的四极耦合常数的实验值。