Journal Article

PUBDB-2025-04935

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Microhydration Dynamics in Molecular Photoswitches: Equilibrium State Reconfiguration in Imine‐Based Architectures

Campos, N. M.Extern* ; Roque, R. J. C.Extern* ; Pinacho Morante, P.Extern*DESY* ; Pollok, C. H. ; Merten, C. ; Silva, P. S. P. ; Silva, M. R. ; Schnell, M. (Corresponding author)CFEL*DESY* ; Domingos, S. (Corresponding author)Extern*

2025
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/ange.202506531  doi:10.3204/PUBDB-2025-04935

Abstract: The functional performance of a molecular photoswitch relies strongly on its ability to undergo structural changes in solution. In this context, microsolvation studies in the gas phase provide access to the conformational panorama of these systems in a size-controlled hydrated environment. Here, we exploit this gas-phase vantage point alongside quantum-chemistry calculations to study the structural properties and microhydration dynamics of camphorquinone imine, a chiral molecule holding the functionality to engage in a motor-like function upon light activation. Using molecular rotational resonance spectroscopy with supersonic jets, we detect and analyze the first- and second-order water complexes of the chiral imine. Our findings reveal that initial hydration steps significantly impact the equilibrium between open (E) and closed (Z) forms, culminating in a reversal of relative stability for the switch states. Despite being captured at rotational temperatures near 1 K, we find that water molecules exhibit notable mobility due to the lack of prominent stabilizing secondary interactions. Additionally, the assignment of a key higher-energy closed (Z) water complex provides insights into the energy required for switching between (E) and (Z) states during collisional cooling. We discuss these effects and rationalize them in terms of molecular forces and internal dynamics governing early solvation.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. DFG project G:(GEPRIS)390677874 - EXC 2033: RESOLV (Ruhr Explores Solvation) (390677874) (390677874)
3. DFG project G:(GEPRIS)328961117 - SFB 1319: Extremes Licht zur Analyse und Kontrolle molekularer Chiralität (ELCH) (328961117) (328961117)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2025

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Database coverage:
; ; ; DEAL Wiley ; Ebsco Academic Search ; Nationallizenz ; SCOPUS

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