Journal article
Influence of ring position on the temporal dependence of charge movement in a switchable [2]rotaxane
International journal of quantum chemistry, v 120(2), pn/a
15 Jan 2020
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Switchable mechanically interlocked molecular architectures (MIMAs) are promising candidates for the components of nanoscale devices. An example of a MIMA-based switch used in nanoscale devices is the electrochemically switchable Stoddart-Heath-type [2]rotaxane. This system's two coconformations differ in electrical conductance, a feature that has been harnessed for electronic and information storage applications. Herein we study the flow of charge in two coconformations of a bistable Stoddart-Heath-type [2]rotaxane and report statistical predictions of electron transfer times using a probabilistic approach for characterizing the timescale of quantum particle transit. The ratio of predicted transfer times for the two coconformations is consistent with the experimentally reported difference in electrical conductance. Path information offered by the probabilistic method gives insight into the influence of ring position on the mechanism of electron transit in this mechanically interlocked assembly.
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Details
- Title
- Influence of ring position on the temporal dependence of charge movement in a switchable [2]rotaxane
- Creators
- Gloria Bazargan - Drexel UniversityKarl Sohlberg - Drexel University
- Publication Details
- International journal of quantum chemistry, v 120(2), pn/a
- Publisher
- Wiley
- Number of pages
- 14
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000496511800001
- Scopus ID
- 2-s2.0-85075126563
- Other Identifier
- 991019168391404721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Physical
- Mathematics, Interdisciplinary Applications
- Physics, Atomic, Molecular & Chemical
- Quantum Science & Technology