Microsolvation of HN2+ in Argon: Infrared Spectra and ab Initio Calculations of Arn−HN2+ (n = 1−13)
Microsolvation of HN2+ in Argon: Infrared Spectra and ab Initio Calculations of Arn−HN2+ (n = 1−13)
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HN2+ 在氩气中的微溶剂化：Arn−HN2+ 的红外光谱和从头计算 (n = 1−13)
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
J. Maier
中科院分区：
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作者：
O. Dopfer;R. Olkhov;J. Maier
用串联质谱仪在4μm光谱范围内记录了质量选择的ArN-HN-HN~(2+)络合物(n=1μ~(13))的红外光解离光谱。主要特征为ν1+mνS(m=1，2)组合带，其中ν1对应于分子内N−H伸缩振动，νS对应于第一(质子结合)Ar配体的分子间伸缩振动.系统的大小依赖于络合作用的频率漂移和碎片分支率使得能够开发出一个一致的团簇生长模型。Ar−hn2+二聚体具有线性质子结合结构，此外，Ar配体围绕线性二聚体核心填充两个赤道溶剂化环，每个环包含多达五个Ar原子。第12个Ar原子在HN~(2+)的氮端的附着导致了具有二十面体结构的第一溶剂化壳层的完成。红外光解光谱中较弱的谱带归因于不稳定的异构体。与之前的研究相比..。
Infrared (IR) photodissociation spectra of mass selected Arn−HN2+ complexes (n = 1−13) have been recorded in the 4 μm spectral range in a tandem mass spectrometer. The dominant features are assigned to the ν1 + mνs (m = 1, 2) combination bands, where ν1 corresponds to the intramolecular N−H stretch mode and νs to the intermolecular stretching vibration of the first (proton-bound) Ar ligand. Systematic size-dependent complexation-induced frequency shifts and fragmentation branching ratios enabled the development of a consistent model for the cluster growth. The Ar−HN2+ dimer has a linear proton-bound structure and further Ar ligands fill two equatorial solvation rings around the linear dimer core, each of them containing up to five Ar atoms. The attachment of the 12th argon atom at the nitrogen end of HN2+ leads to the completion of the first solvation shell with an icosahedral structure. Weaker bands in the IR photodissociation spectra are attributed to less stable isomers. Comparison with previous studie...