首页> 外文期刊>The Journal of Chemical Physics >Geometries and excited-state dynamics of van der Waals dimers and higher clusters of 1-cyanonaphthalene
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Geometries and excited-state dynamics of van der Waals dimers and higher clusters of 1-cyanonaphthalene

机译:范德华二聚体和1-氰基萘的更高簇的几何形状和激发态动力学

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摘要

Mass-selected resonant two-photon ionization and infrared-ultraviolet double-resonance spectroscopies are combined with correlated (second M011er-Plesset perturbation) quantum chemistry calculation to probe electronic spectra and ground-state geometries of the jet-cooled dimer and higher clusters of 1-cyanonaphthalene.The results indicate that the dimer and trimer have stacked geometries,consistent with the highly efficient,rapid excimer formation that follows photoexcitation of the ground-state clusters.
机译:质量选择的共振双光子电离和红外-紫外线双共振光谱与相关的(第二次M011er-Plesset扰动)量子化学计算相结合,以探测电子光谱和射流冷却的二聚体以及1的更高簇的基态几何-氰基萘。结果表明,二聚体和三聚体具有堆叠的几何形状,与基态团簇光激发后高效,快速的准分子形成一致。

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