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质子化氮N_2H~+是星际云中关键的分子离子。在星际云,实验室与理论上已作了很多研究。尤其是,Woods等使用微波技术精确地测定不N_2H~+离子及其同位素离子的转动光谱,得出N_2H~+有效转动常数B_(eff)=46.5867GH_z及其它有关常数。N_2H~+是线型结构,他们分析得到r_(NN)=1.095A,r_(NH)=1.032A。最近,Gudema与Foster分别用3.lum,5um的光,研究了N_2H~+的红外激光光谱,得到振动频率V_1和V_3。然而,N_2H~+的光谱数据,特别是振动光谱十分不全,到目前为止,还没有在实验上测得N_2H(?)的角弯曲振动频率V_2。在理论上,Botschwina使用CEFA方法,也仅计算出N_2H~+的键伸缩的非谐性力场,没有包括N_2H~+的角弯曲力常数,此外,朱正和和俞华根使用大基组6—31G~*及组态
Protonated nitrogen N_2H ~ + is a key molecular ion in interstellar clouds. Much research has been done in interstellar clouds, labs and theories. In particular, Woods et al. Used microwave techniques to accurately determine the rotational spectra of non-N 2 H ~ + ions and their isotopes and found that the effective rotational constant of N 2 H ~ + = 46.5867 G H_z and other related constants. N_2H ~ + is a linear structure, their analysis has been r_ (NN) = 1.095A, r_ (NH) = 1.032A. Recently, Gudema and Foster studied the infrared laser spectrum of N 2 H ~ + with 3.lum and 5um respectively, and obtained the vibrational frequencies V_1 and V_3. However, the spectroscopic data of N 2 H ~ +, especially the vibration spectrum, are incomplete. So far, the angular bending vibration frequency V_2 of N 2 H (?) Has not been measured experimentally. In theory, Botschwina uses the CEFA method to calculate only the nonharmonic force field of the N_2H ~ + bond stretching and does not include the angular bending force constant of N_2H ~ +. In addition, Zhu Zhenghe and Yu Huagang use the large base group 6-31G ~ * And configuration