Structural Changes of a Doubly Spin-Labeled Chemically Driven Molecular Shuttle Probed by PELDOR Spectroscopy
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- 作者：Dr. Paola Franchi ; Valentina Bleve ; Prof. Dr. Elisabetta Mezzina ; Christian Schfer ; Giulio Ragazzon ; Dr. Marco Albertini ; Prof. Donatella Carbonera ; Prof. Dr. Alberto Credi ; Prof. Marilena Di Valentin and Prof. Marco Lucarini
- 刊名：Chemistry - A European Journal
- 出版年：2016
- 出版时间：June 20, 2016
- 年：2016
- 卷：22
- 期：26
- 页码：8745-8750
- 全文大小：1077K
- ISSN：1521-3765
文摘
Gaining detailed information on the structural rearrangements associated with stimuli-induced molecular movements is of utmost importance for understanding the operation of molecular machines. Pulsed electron–electron double resonance (PELDOR) was employed to monitor the geometrical changes arising upon chemical switching of a [2]rotaxane that behaves as an acid–base-controlled molecular shuttle. To this aim, the rotaxane was endowed with stable nitroxide radical units in both the ring and axle components. The combination of PELDOR data and molecular dynamic calculations indicates that in the investigated rotaxane, the ring displacement along the axle, caused by the addition of a base, does not alter significantly the distance between the nitroxide labels, but it is accompanied by a profound change in the geometry adopted by the macrocycle.