Microwave Spectra and Structure of HCN-BF3: An Almost Weakly Bound Complex

Microwave Spectra and Structure of HCN-BF3: An Almost Weakly Bound Complex
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DOI:
10.1021/j100143a018
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发表时间:
1993
期刊:
The Journal of Physical Chemistry
影响因子:
--
通讯作者:
S. Reeve;W. Burns;F. Lovas;R. Suenram;K. Leopold
S. Reeve;W. Burns;F. Lovas;R. Suenram;K. Leopold
中科院分区:
其他
文献类型:
--
作者:
S. Reeve;W. Burns;F. Lovas;R. Suenram;K. Leopold

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使用脉冲喷嘴傅立叶变换微波光谱观察了复合物HCN-BF 3 的旋转光谱。观察了 11 B 和 10 B 物种与 HC 14 N 和 HC 15 N 的光谱,并分析了超精细结构。该配合物具有预期的C 3υ 结构,HCN 的氮端朝向硼,但观察到的 2.473(29) A BN 键长明显短于相关弱键合体系 NeqN-BF 3 和 NeqC-CeqN-BF 3 。 BF 3 的面外畸变无法准确确定,但可能小于 3 o
Rotational spectra of the complex HCN-BF 3 have been observed using pulsed-nozzle Fourier transform microwave spectroscopy. Spectra have been observed for the 11 B and 10 B species with both HC 14 N and HC 15 N, and the hyperfine structure has been analyzed. The complex has the expected C 3υ structure, with the nitrogen end of the HCN toward the boron, but the observed BN bond length of 2.473(29) A is notably shorter than that in the related weakly bound systems N≡N-BF 3 and N≡C-C≡N-BF 3 . The out-of-plane distortion of the BF 3 cannot be determined accurately but is probably less than 3 o