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  • Title: He I photoelectron spectra and gas-phase electronic structures of end-functionalized [3]- and [5]-ladderanes.
    Author: Friscić T, Klasinc L, Kovac B, Macgillivray LR.
    Journal: J Phys Chem A; 2008 Feb 21; 112(7):1493-6. PubMed ID: 18225866.
    Abstract:
    [3]- and [5]-ladderanes obtained by way of template-controlled syntheses conducted in the organic solid state have been characterized via He I photoelectron (PE) spectroscopy. The results provide a first correlation with X-ray crystallographic structure data and establish the reliability of quantum chemical DFT (B3LYP/6-31G*) and ab initio HF calculations in predicting geometrical and electronic structures of molecular ladder frameworks.
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