Journal article
Semi-classical quantization of the shuttling eigenstates in a [2]rotaxane
Journal of computational and theoretical nanoscience, v 3(6), pp 982-988
01 Dec 2006
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Abstract
The essential mechanical behavior in a switchable rotaxane can be reasonably reduced to the relative motion of the two components along a single "shuttling" dimension. Since the simplest rotaxanes are composed of a few hundred atoms, the reduced mass for this motion is very large from the standpoint of quantum mechanics and therefore the density of quantum eigenstates in this shuttling dimension is very large. To meet the challenge of computing the energies for such a large number of eigenstates, we apply a semiclassical technique and show that variations in the state density with energy have implications for classical-quantum correspondence in these systems.
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12 citations in Scopus
Details
- Title
- Semi-classical quantization of the shuttling eigenstates in a [2]rotaxane
- Creators
- Ari SilverKarl Sohlberg
- Publication Details
- Journal of computational and theoretical nanoscience, v 3(6), pp 982-988
- Publisher
- Amer Scientific Publishers
- Number of pages
- 7
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000242873800014
- Scopus ID
- 2-s2.0-33845725190
- Other Identifier
- 991019169546904721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Multidisciplinary
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Applied
- Physics, Condensed Matter