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Fourier-transform spectroscopy and potential construction of the (2)(1)Pi state in KCs

机译:KCs中的(2)(1)Pi态的傅里叶变换光谱和势能构造

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The paper presents an empirical pointwise potential energy curve (PEC) of the (2)(1)Pi state of the KCs molecule constructed by applying the Inverted Perturbation Approach routine. The experimental term values in the energy range E(v', J') is an element of [15 407; 16 579] cm(-1) involved in the fit were based on Fourier-Transform spectroscopy data obtained with 0.01 cm(-1) accuracy from the laser-induced (2)(1)Pi -> X-1 Sigma(+) fluorescence spectra. Buffer gas Ar was used to facilitate the appearance of rotation relaxation lines in the spectra, thus enlarging the (2)(1)Pi data set and allowing determination of the Lambda-splitting constants. The data set included vibrational v' is an element of [0,28] and rotational J' is an element of [7,274] quantum numbers covering about 67% of the potential well. The present PEC reproduces the overall set of data included in the fit with a standard deviation of 0.5 cm(-1). The obtained value of the Lambda-doubling constant q = +1.8 x 10(-6) cm(-1) for J' > 50 and v' is an element of [0,6] is in an excellent agreement with q = +1.84 x 10(-6) cm(-1) reported in Kim, Lee, and Stolyarov [J. Mol. Spectrosc. 256, 57-67 (2009)]. (C) 2015 AIP Publishing LLC.
机译:本文介绍了通过应用反向扰动方法例程构造的KCs分子的(2)(1)Pi状态的逐点经验势能曲线(PEC)。能量范围E(v',J')中的实验项值是[15 407;拟合中涉及的16579] cm(-1)是基于傅立叶变换光谱数据从激光诱导的(2)(1)Pi-> X-1 Sigma(+)以0.01 cm(-1)精度获得的。荧光光谱。缓冲气体Ar用于促进光谱中旋转弛豫线的出现,从而扩大了(2)(1)Pi数据集并允许确定Lambda分裂常数。包括振动的数据集v'是[0,28]的元素,旋转J'是[7,274]量子数的元素,覆盖约67%的势阱。本PEC以0.5 cm(-1)的标准偏差再现了拟合中包含的全部数据。当J'> 50且v'为[0,6]的元素时,λ加倍常数q = +1.8 x 10(-6)cm(-1)的值与q = +在Kim,Lee和Stolyarov中报道了1.84 x 10(-6)cm(-1)[J.大声笑光谱。 256,57-67(2009)]。 (C)2015 AIP Publishing LLC。

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