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B(1) ~1Π state of KCs: High-resolution spectroscopy and description of low-lying energy levels (Conference Paper)

机译:KCs的B(1)〜1Π状态:高分辨率光谱学和低能级描述(会议论文)

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The diode laser induced B(1) ~1Π → X ~1Σ ~+ fluorescence spectra of the KCs molecule were recorded by Fourier-transform spectrometer with resolution of 0.03 cm ~(-1). Buffer gas Ar was used to facilitate appearance of rotation relaxation lines in the spectra, thus enlarging the B(1) 1Π dataset, allowing one to determine the ∧-splitting constants and to reveal numerous local perturbations. A dataset was systematically obtained for B(1) ~1Π vibrational levels vv ′ ∈ [0; 5] nonuniformly covering rotational levels with J ′ ∈ [7; 233]. For v ′ ∈ [0; 3], the less-perturbed data of f-components were included in the fit. A pointwise potential energy curve (PEC) based on the inverted perturbation approach, as well as the Dunham coefficients, was obtained and compared with ab initio calculations; in particular, the energy of the PECs minimum T _e = 14 044.918(6) cm ~(-1) was determined. Both approaches allowed us to reproduce the vast majority of data used in the fit with accuracy of 0.02 cm ~(-1). Tentative molecular constants for several vibrational levels of the near lying C(3) ~1Σ ~+ state were estimated.
机译:用傅里叶变换光谱仪记录了二极管激光诱导的KCs分子的B(1)〜1Π→X〜1Σ〜+荧光光谱,分辨率为0.03 cm〜(-1)。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B(1)1Π数据集,从而使人们能够确定σ分裂常数并揭示许多局部扰动。系统地获得了B(1)〜1Π振动水平vv'∈[0; 5]用J'∈[7; 233]。对于v'∈[0; 3],拟合中包括了f分量的较小扰动数据。获得了基于反向扰动方法的点状势能曲线(PEC)以及Dunham系数,并将其与从头算计算进行了比较;特别地,确定了PEC的最小T_e = 14044.918(6)cm〜(-1)的能量。两种方法都使我们能够以0.02 cm〜(-1)的精度重现用于拟合的绝大多数数据。估算了近似的C(3)〜1Σ〜+状态的几个振动能级的暂定分子常数。

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