Fine and hyperfine coupling constants of the β-cyanovinyl radical, HCCHCN
Fine and hyperfine coupling constants of the β-cyanovinyl radical, HCCHCN
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β-氰基乙烯基自由基 HCCHCN 的精细和超精细耦合常数
DOI：
10.1039/d2cp00516f
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发表时间：
2022
影响因子：
3.3
通讯作者：
Endo Yasuki
中科院分区：
文献类型：
--
作者：
Nakajima Masakazu;Liu Yi-Ting;Chang Ching Hua;Seiki Kenji;Sumiyoshi Yoshihiro;Ohshima Yasuhiro;Tang Jian;Endo Yasuki
重新测量顺式-β-氰基乙烯基自由基的傅里叶变换微波谱，以获得高达 30 GHz 的 a 型跃迁的 Ka = 0 阶梯和 19.85 GHz 的 212-111 跃迁。使用 MW-MW 双共振技术还观察到四个 b 型跃迁。在本研究中，对每个旋转转变观察到的精细和超精细成分都进行了完全分配，并确定了自由基的精确分子常数。通过与乙烯基超精细耦合常数的比较，得出结论：氰基取代其中一个β-氢对乙烯基的电子结构影响很小。
A Fourier-transform microwave spectrum of the cis-β-cyanovinyl radical is re-measured for the Ka = 0 ladder of the a-type transitions up to 30 GHz and the 212–111 transition at 19.85 GHz. Four b-type transitions are also observed using a MW–MW double-resonance technique. Fine and hyperfine components observed for each rotational transition are fully assigned in the present study, and the precise molecular constants are determined for the radical. From the comparisons of the hyperfine coupling constants with those of the vinyl radicals, it is concluded that the substitution of one of the β-hydrogens by the cyano group has little effect on the electronic structure of the vinyl radical.