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首页> 外文期刊>Physical chemistry chemical physics: PCCP >High resolution Fourier transform spectroscopy of CH2D2 in the region 2350-2650 cm(-1): the bands nu(5)+nu(7), 2 nu(9), nu(3)+nu(4), nu(3)+nu(7) and nu(5)+nu(9)
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High resolution Fourier transform spectroscopy of CH2D2 in the region 2350-2650 cm(-1): the bands nu(5)+nu(7), 2 nu(9), nu(3)+nu(4), nu(3)+nu(7) and nu(5)+nu(9)

机译:CH2D2在2350-2650 cm(-1)区域的高分辨率傅里叶变换光谱:波段nu(5)+ nu(7),2 nu(9),nu(3)+ nu(4),nu(3 )+ nu(7)和nu(5)+ nu(9)

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摘要

The IR spectrum of the CH2D2 molecule has been measured in the region of 2350 - 2650 cm(-1) on a Bomem DA002 Fourier transform spectrometer with a resolution of 0.004 cm(-1) (FWHM, apodized) and analyzed with a Hamiltonian model which takes into account resonance interactions between all vibrational states in that region. More than 3000 transitions have been assigned to the bands 2nu(9), nu(3) + nu(4), nu(5) + nu(9), nu(5) + nu(7) and nu(3)+nu(7) using ground state combination differences from the known ground state parameters. A set of 115 spectroscopic parameters for the excited vibrational states is obtained from a least squares adjustment. This reproduces the 646 initial upper ro-vibrational energies used in the fit with a d(rms) = 0.0036 cm(-1).
机译:CH2D2分子的红外光谱已在Bomem DA002傅立叶变换光谱仪上在2350-2650 cm(-1)的区域中进行了测量,分辨率为0.004 cm(-1)(FWHM,切趾),并使用汉密尔顿模型进行了分析考虑到该区域所有振动状态之间的共振相互作用。超过3000个过渡已分配给频段2nu(9),nu(3)+ nu(4),nu(5)+ nu(9),nu(5)+ nu(7)和nu(3)+ nu(7)使用与已知基态参数的基态组合差异。从最小二乘平差获得了一组115个激发振动态的光谱参数。这会再现d(rms)= 0.0036 cm(-1)时用于拟合的646个初始较高的上部振动能量。

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