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Formation and identification of borane radical anions isolated in solid argon

机译:固体氩水隔离的硼烷自由基阴离子的形成与鉴定

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The infrared (IR) spectrum of borane(3) anions (BH3-) isolated in solid Ar was recorded; two vibrational modes were observed at 2259.4 and 606.6 cm(-1), which were assigned to the BH2 stretching (nu(3)) and out-of-plane large-amplitude (nu(2)) modes, respectively. These anions were produced by the electron bombardment of an Ar matrix sample containing a small proportion of B2H6 and H-2 during matrix deposition or by the photolysis of single-bridged-B2H5 fi 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 BH3- are generally in good agreement with those predicted by the B2PLYP/aug-cc-pVTZ method.
机译:记录固体AR中分离的硼烷(3)个阴离子(BH3-)的红外(IR)光谱; 在2259.4和606.6cm(-1)下观察到两种振动模式,分别分配给BH2拉伸(NU(3))和外平面外部大幅度(NU(2))模式。 这些阴离子由含有小比例的B2H6和H-2期间的AR基质样品的电子轰击,或者通过用所选紫外光光解体在AR基质中光解。 BH3的观察IR特征的带位置,相对强度比,同位素分裂图谱和同位素偏移比通常与由B2PLYP / AUG-CC-PVTZ方法预测的那些吻合良好。

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