National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan.
J Chem Phys. 2018 Feb 21;148(7):074307. doi: 10.1063/1.5016869.
The infrared (IR) spectrum of borane(3) anions (BH) isolated in solid Ar was recorded; two vibrational modes were observed at 2259.4 and 606.6 cm, which were assigned to the BH stretching (ν) and out-of-plane large-amplitude (ν) modes, respectively. These anions were produced by the electron bombardment of an Ar matrix sample containing a small proportion of BH and H during matrix deposition or by the photolysis of single-bridged-BH in an Ar matrix with the selected ultraviolet light. The band positions, relative intensity ratios, isotopic splitting pattern, and isotopic shift ratios of the observed IR features of BH are generally in good agreement with those predicted by the B2PLYP/aug-cc-pVTZ method.
硼烷(3)阴离子（BH）在固态 Ar 中被分离，记录了其红外（IR）光谱；观察到两个振动模式，分别位于 2259.4 和 606.6 cm，分别被分配给 BH 伸缩（ν）和非平面大振幅（ν）模式。这些阴离子是通过在基质沉积过程中含有少量 BH 和 H 的 Ar 基质样品的电子束轰击或通过用选定的紫外线光对 Ar 基质中的单桥接-BH 进行光解产生的。所观察到的 BH 的 IR 特征的带位置、相对强度比、同位素分裂模式和同位素位移比与 B2PLYP/aug-cc-pVTZ 方法预测的一般吻合较好。
