当前位置: X-MOL 学术J. Mol. Spectrosc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Perturbations Involving ν1of NCCN
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 1999-01-01 , DOI: 10.1006/jmsp.1998.7723
Maki 1 , Klee
Affiliation  

From high-resolution infrared spectra of 14N12C12C14N, 14N13C13C14N, and 15N12C12C15N, we find that the levels 1000(0)0(0), 1000(0)1(1), 1000(0)2(0,2), and 1000(0)3(1,3) have very pronounced perturbations. Our analysis shows that these perturbations are due to a vibrational resonance among the levels 1000(0)0(0), 0102(0)2(0), and 0102(0)2(2) in the one case, and equivalent levels with one or more additional quanta of nu5 in the other three cases. The resonance constant for the perturbation involving nu1 is 0.25 cm-1. It has the dependence on v5 and l5 that is expected for the sextic potential constant, K124455, although it seems too large for such a high-order constant. The Deltal (or Deltak) = 2 interaction between, for instance, 1000(0)0(0) and 0102(0)2(2e) is shown to be primarily due to the l-type resonance mixing of the 0102(0)2(0) and 0102(0)2(2e) states. The resonance is nearly "turned off" for the 1000(0)2(0,2) and 1000(0)3(1,3) states of 14N13C13C14N because there are no level crossings between the interacting states and the band centers are too far away to have an obvious effect, although careful analysis shows that the perturbation can be seen in their effective centrifugal distortion constants. The spectrum of 15N12C12C15N shows level crossings only in the case of the 1000(0)1(1), 1000(0)2(0,2), and 1000(0)3(1,3) states. Copyright 1999 Academic Press.

中文翻译:

涉及 NCCN ν1 的扰动

从 14N12C12C14N、14N13C13C14N 和 15N12C12C15N 的高分辨率红外光谱中,我们发现 1000(0)0(0)、1000(0)1(1)、1000(0)2(0,20) 和(0)3(1,3) 有非常明显的扰动。我们的分析表明,在一种情况下,这些扰动是由于 1000(0)0(0)、0102(0)2(0) 和 0102(0)2(2) 能级之间的振动共振,以及等效能级在其他三种情况下,有一个或多个额外的 nu5 量。涉及 nu1 的扰动的共振常数为 0.25 cm-1。它对性势常数 K124455 所预期的 v5 和 l5 具有依赖性,尽管它对于这样的高阶常数来说似乎太大了。Delta(或 Deltak)= 2 之间的相互作用,例如,1000(0)0(0) 和 0102(0)2(2e) 显示主要是由于 0102(0)2(0) 和 0102(0)2(2e) 状态的 l 型共振混合. 对于 14N13C13C14N 的 1000(0)2(0,2) 和 1000(0)3(1,3) 态,共振几乎“关闭”,因为相互作用态之间没有能级交叉,能带中心太远有明显的影响,尽管仔细分析表明扰动可以在它们的有效离心畸变常数中看到。15N12C12C15N 的频谱仅在 1000(0)1(1)、1000(0)2(0,2) 和 1000(0)3(1,3) 状态的情况下显示电平交叉。版权所有 1999 学术出版社。3) 14N13C13C14N 的状态,因为相互作用态之间没有能级交叉,能带中心太远而无法产生明显的影响,尽管仔细分析表明可以在它们的有效离心畸变常数中看到扰动。15N12C12C15N 的频谱仅在 1000(0)1(1)、1000(0)2(0,2) 和 1000(0)3(1,3) 状态的情况下显示电平交叉。版权所有 1999 学术出版社。3) 14N13C13C14N 的状态,因为相互作用态之间没有能级交叉,能带中心太远而无法产生明显的影响,尽管仔细分析表明可以在它们的有效离心畸变常数中看到扰动。15N12C12C15N 的频谱仅在 1000(0)1(1)、1000(0)2(0,2) 和 1000(0)3(1,3) 状态的情况下显示电平交叉。版权所有 1999 学术出版社。
更新日期:1999-01-01
down
wechat
bug