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The NH and ND stretching fundamentals of ~14ND_2H

机译：〜14ND_2H的NH和ND伸展基本原理

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High resolution(0.004cm~-1 instrumental bandwidth)interferometric Fourier trnsform infrared spectra of ~14ND_2H were obtained on a BOMEM DA002 spectrometer under essentially Doppler limited conditions.We report the analysis of the ND and NH stretching funda-mentals of ~14ND_2H with term values for the symmetric (s) antisymmetric (a) sublevels iwth respect to the inversion plane of the planar geometry T_v(s)=2430.7990(7)cm~-1 and T_v(a)=2434.6222(8)cm~-1 for the v_3a fundamental,T_v(s)=2559.8069(8) cm~-1 and T_v(a)2559.9630(9) cm~-1 for the v_3b fundamental and T_v(s)=3404.238(5)cm~-1 and T_v(a)=3404.316(5)cm~-1 for v_1 fundamental.The two modes V_3 whinc are eegenerate in ND_3 an whose degeneracy is lifted in ND_2H,are distinguished by the subscripts 3a or 3b,being symmetric (3a) or antisymmetric (3b) with respect to the effective S-reduced Hamiltonian could be determined accurately for each fundamental.In particular,the inversion-rotation interaction parameter could be dtermined for the two ND-stretching modes.Assignments were established with certainty by meas of ground state combination differences.The results are important for the mode selective inhibition or catalysisofnversion at the nitrogen atom by exciting ND and NH stretching vibrations,for treatments of isotope effects on inversion of ammonia by means of effective Hamiltonians as well as moleuclar Hamiltonians on high dimensional potential hypersurfaces.
机译：在基本上多普勒有限的条件下，在BOMEM DA002光谱仪上获得了〜14ND_2H的高分辨率（0.004cm〜-1仪器带宽）干涉傅里叶变换红外光谱。我们报道了〜14ND_2H的ND和NH拉伸基本原理的分析相对于平面几何图形的反转平面的对称（s）反对称（a）子级的值T_v（s）= 2430.7990（7）cm〜-1和T_v（a）= 2434.6222（8）cm〜-1 v_3a基础，对于v_3b基础，T_v（s）= 2559.8069（8）cm〜-1和T_v（a）2559.9630（9）cm〜-1，T_v（s）= 3404.238（5）cm〜-1和T_v对于v_1基本而言，（a）= 3404.316（5）cm〜-1。两种模式V_3 whinc在ND_3中生成，其简并性在ND_2H中升高，以下标3a或3b区分，对称（3a）或反对称（ 3b）关于有效的S折减哈密顿量，可以准确地确定每个基本面。特别是，可以确定t的反转-旋转相互作用参数这两种ND拉伸模式是通过基态组合差异的测量确定地确定分配的。这些结果对于通过激发ND和NH拉伸振动来选择性抑制或催化氮原子的转化非常重要，对于处理同位素对反演的影响也很重要。通过有效的哈密顿量和分子哈密顿量在高维潜在超曲面上生成氨。

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