Journal article
He I photoelectron spectra and gas-phase electronic structures of end-functionalized [3]- and [5]-ladderanes
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, Vol.112(7), pp.1493-1496
02/21/2008
DOI: 10.1021/jp072330c
PMID: 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.
Details
- Title: Subtitle
- He I photoelectron spectra and gas-phase electronic structures of end-functionalized [3]- and [5]-ladderanes
- Creators
- Tomislav Friscić - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242-1294, USALeo KlasincBranka KovacLeonard R Macgillivray
- Resource Type
- Journal article
- Publication Details
- The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, Vol.112(7), pp.1493-1496
- DOI
- 10.1021/jp072330c
- PMID
- 18225866
- ISSN
- 1089-5639
- eISSN
- 1520-5215
- Language
- English
- Date published
- 02/21/2008
- Academic Unit
- Pharmaceutical Sciences and Experimental Therapeutics; Chemistry
- Record Identifier
- 9984216717202771
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