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      Indandiazocines: unidirectional molecular switches

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          Abstract

          We report theoretical investigations on azobenzene-based indandiazocines, novel chiral systems that perform unidirectional cistrans isomerizations upon photoexcitation. For three different systems of this kind, we have simulated excited-state surface-hopping trajectories for both isomerization directions, using a configuration-interaction treatment based on system-specifically reparametrized semiempirical AM1 theory. Our results are also compared to experimental and theoretical results for the parent system diazocine. We show that, as intended by design, the transcis bending of the azo unit in these indandiazocines can only happen in one of the two possible directions due to steric constraints, which is a new feature for photoswitches and a necessary prerequisite for directional action at the nanoscale.

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          RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

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            MOPAC: a semiempirical molecular orbital program.

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              Can man-made nanomachines compete with nature biomotors?

               Joseph Wang (2009)
              Biological nanomotors have evolved over million years to perform specific tasks with high efficiency. The remarkable performance of biomotors is inspiring scientists to create synthetic nanomachines that mimic the function of these amazing natural systems. This review discusses the challenges and opportunities facing artificial nanomotors and summarizes recent progress toward the development of such man-made nanomachines. Particular attention is given to catalytic nanowire motors propelled by the electrocatalytic decomposition of a chemical fuel. While artificial nanomotors pale compared to nature biomotors, recent advances indicate their great potential to perform diverse applications and demanding tasks. Such advances include significant improvements in the velocity, motion control, cargo-towing force, and lifetime of such catalytic nanomotors. As a result, artificial nanomotors can have velocities as large as 100 body lengths per second and relatively high powers to transport a "heavy" cargo within complex microchannel networks. Despite this impressive progress, man-made nanomachines still lack the efficiency, functionality, and force of their biological counterparts and are limited to a very narrow range of environments and fuels. Improved understanding of the behavior of catalytic nanomotors will facilitate the design of highly efficient and powerful artificial nanomachines for complex operations in diverse realistic environments, leading to practical nanoscale applications in the not-so-distant future.
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                Author and article information

                Contributors
                Journal
                SOR-CHEM
                ScienceOpen Research
                ScienceOpen
                2199-1006
                29 January 2015
                : 0 (ID: bdd94554-c0d3-4aeb-87f7-73b1bf98d860 )
                : 0
                : 1-10
                Affiliations
                Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstraße 40, D-24098 Kiel, Germany
                Author notes
                [* ]Corresponding author's e-mail address: hartke@ 123456pctc.uni-kiel.de
                Article
                2456:XE
                10.14293/S2199-1006.1.SOR-CHEM.ARDTLN.v1
                © 2015 Tim Raeker and Bernd Hartke.

                This work has been published open access under Creative Commons Attribution License CC BY 4.0 , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Conditions, terms of use and publishing policy can be found at www.scienceopen.com .

                Page count
                Figures: 8, Tables: 7, References: 30, Pages: 10
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