He I photoelectron spectra and gas-phase electronic structures of end-functionalized [3]- and [5]-ladderanes |
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Authors: | Friscić Tomislav Klasinc Leo Kovac Branka Macgillivray Leonard R |
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Affiliation: | Department of Chemistry, University of Iowa, Iowa City, Iowa 52242-1294, USA. |
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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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