Microwave spectra and structure of HI–HF complexes
Microwave spectra and structure of HI–HF complexes
复制标题
HI-HF配合物的微波光谱和结构
DOI：
--
复制
发表时间：
1987
影响因子：
4.4
通讯作者：
S. Kukolich
中科院分区：
文献类型：
--
作者：
Roger E Bumgarner;S. Kukolich
使用脉冲束傅里叶变换微波光谱仪测量HI-HF、HI-DF、DI-HF和DI-DF复合物的微波光谱。在4-18 GHz范围内测量旋转过渡过渡，精度为5 kHz。拟合HI-HF、HI-DF、DI-HF和DI-DF系列的光谱常数分别为：（B+C）/2=2220.7482（8）、2173.236（2）、2209.623（4）和2162.884（6）MHz; eQq（I）=687.01（2）、693.63（5）、725.96（4）和727.8（1）MHz; ΔeQq（I）=−42（2）、−50（6）、−210（14）和−141（25）kHz; DJ =8.86（3）、8.25（6）、8.1（6）和8.6（5）kHz。该配合物具有有趣的三角形结构，H-I和H-F键形成70.1（2.8）°的锐角。碘原子与HF共轴，重原子间距R 0（I-F）=3.660（8）A。由于氘四极耦合和H-F自旋-自旋相互作用的超精细结构的解决和测量。
Microwave spectra for the HI–HF, HI–DF, DI–HF, and DI–DF complexes were measured using a pulsed‐beam, Fourier‐transform microwave spectrometer. Rotational transitional transitions were measured over the 4–18 GHz range to an accuracy of 5 kHz. The spectroscopic constants obtained by fitting the observed transitions for the series HI–HF, HI–DF, DI–HF, and DI–DF are, respectively: (B+C)/2=2220.7482(8), 2173.236(2), 2209.623(4), and 2162.884(6) MHz; eQq(I)=687.01(2), 693.63(5), 725.96(4), and 727.8(1) MHz; ΔeQq(I)=−42(2), −50(6), −210(14), and −141(25) kHz; DJ =8.86(3), 8.25(6), 8.1(6), and 8.6(5) kHz. This complex has an interesting triangular structure with the H–I and H–F bonds making an acute angle of 70.1 (2.8)°. The iodine atom is coaxial with HF with a heavy atom separation R0(I–F)=3.660(8) A. Hyperfine structure due to deuterium quadrupole coupling and H–F spin–spin interactions was resolved and measured.