Pure rotational spectra of the CCCF radical.
Pure rotational spectra of the CCCF radical.
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DOI：
10.1063/1.3120444
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发表时间：
2009-04
期刊：
影响因子：
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通讯作者：
Takashi Yoshikawa;Y. Sumiyoshi;Y. Endo
中科院分区：
文献类型：
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作者：
Takashi Yoshikawa;Y. Sumiyoshi;Y. Endo
利用傅里叶变换微波谱仪首次观测到了一种新的碳链自由基CCCF在超音速射流中的纯转动跃迁。自由基是在分别用Ne稀释到0.1%和0.1%的C（2）H（2）和CF（4）混合物中通过脉冲放电产生的。在9.1GHz（N（K（a）K（c））= 1（01）-0（00））到27.3GHz（N（K（a）K（c））= 3（03）-2（02））的范围内观察到了自旋和超精细分裂的转动跃迁。由最小二乘分析精确地确定了转动常数、自旋-转动相互作用常数和由F核引起的超精细耦合常数，得到B = 4555.8043（44），γ（eff）= -7.105（16），B（F，eff）= 368（19），c（eff）= -284.832（61）MHz。将所测得的分子常数与高水平从头计算的结果进行了比较，并得出结论：CCCF自由基具有弯曲的基态X（2）A（'）。
Pure rotational transitions of a new carbon-chain radical CCCF in a supersonic jet have been observed for the first time using a Fourier-transform microwave spectrometer with a pulsed-discharge nozzle. The radical was produced by a pulsed electric discharge in a C(2)H(2) and CF(4) mixture diluted to 0.1% and 0.1% with Ne, respectively. Rotational transitions with spin and hyperfine splittings have been observed in the region from 9.1 GHz for N(K(a)K(c)) = 1(01)-0(00) to 27.3 GHz for N(K(a)K(c)) = 3(03)-2(02). The rotational constant, the spin-rotation interaction constant, and the hyperfine coupling constants due to the F nucleus have been precisely determined from the least-squares analysis, yielding B = 4555.8043(44), gamma(eff) = -7.105(16), b(F,eff) = 368(19), and c(eff) = -284.832(61) MHz. The determined molecular constants were compared with those obtained from high-level ab initio calculations and concluded that the CCCF radical has a bent ground state X(2)A(').