Ferber R, Klincare I, Nikolayeva O, Tamanis M, Knöckel H, Tiemann E, Pashov A
Laser Center, University of Latvia, 19 Rainis Blvd., LV-1586 Riga, Latvia.
J Chem Phys. 2008 Jun 28;128(24):244316. doi: 10.1063/1.2943677.
We present here the first analysis of laser induced fluorescence (LIF) of the KCs molecule obtaining highly accurate data and perform a direct potential construction for the X (1)Sigma(+) ground state in a wide range of internuclear distances. KCs molecules were produced by heating a mixture of K and Cs metals in a heat pipe at a temperature of about 270 degrees C. KCs fluorescence was induced by different laser sources: the 454.5, 457.9, 465.8, and 472.7 nm lines of an Ar(+) laser, a dye laser with Rhodamine 6G dye (excitation at around 16 870 cm(-1)), and 850 and 980 nm diode lasers (11 500-11 900 and 10 200-10 450 cm(-1) tuning ranges, respectively). The LIF to the ground state was recorded by a Bruker IFS-125HR Fourier transform spectrometer with a spectral resolution of 0.03 cm(-1). Particularly, by applying the 850 nm laser diode we were able to observe LIF progressions to very high vibrational levels of the ground state close to the dissociation limit. The present data field contains 7226 term values for the ground state X (1)Sigma(+) and covers a range from v(")=0 to 97 with J(") varying from 12 to 209. More than 10 000 fluorescence lines were used to fit the ground state potential energy curve via the inverted perturbation approach procedure. The present empirical potential extends up to approximately 12.6 A and covers more than 99% of the potential well depth, it describes most of the spectral lines with an accuracy of about 0.003 cm(-1) and yields a dissociation energy of 4069.3+/-1.5 cm(-1) for the ground state X (1)Sigma(+). First observations of the triplet ground state a (3)Sigma(+) of KCs are presented, and preliminary values of few main molecular constants could be derived.
我们在此展示了对KCs分子激光诱导荧光(LIF)的首次分析,获得了高精度数据,并在广泛的核间距范围内对X (1)Σ⁺基态进行了直接势能构建。通过在热管中加热K和Cs金属的混合物,在约270℃的温度下产生KCs分子。KCs荧光由不同的激光源诱导:Ar⁺激光的454.5、457.9、465.8和472.7 nm谱线、带有罗丹明6G染料的染料激光(在约16870 cm⁻¹处激发)以及850和980 nm二极管激光(调谐范围分别为11500 - 11900和10200 - 10450 cm⁻¹)。通过布鲁克IFS - 125HR傅里叶变换光谱仪记录到基态的LIF,光谱分辨率为0.03 cm⁻¹。特别地,通过应用850 nm激光二极管,我们能够观察到LIF跃迁到接近解离极限的基态非常高的振动态。当前的数据场包含基态X (1)Σ⁺的7226个项值,范围从v(")=0到97,J(")从12变化到209。超过10000条荧光线用于通过逆微扰方法拟合基态势能曲线。当前的经验势能延伸至约12.6 Å,覆盖了超过99%的势阱深度,它以约0.003 cm⁻¹的精度描述了大多数谱线,并给出基态X (1)Σ⁺ 的解离能为4069.3±1.5 cm⁻¹。展示了对KCs三重态基态a (3)Σ⁺的首次观测,并推导了几个主要分子常数的初步值。