000417497 001__ 417497
000417497 005__ 20230310120237.0
000417497 037__ $$aPUBDB-2018-05654
000417497 041__ $$aEnglish
000417497 1001_ $$0P:(DE-H253)PIP1026178$$aThesing, Linda Vanessa$$b0$$eCorresponding author
000417497 1112_ $$aStereodynamics 2018$$cArosa$$d2018-09-02 - 2018-09-07$$wSwitzerland
000417497 245__ $$aAlignment and mixed-field orientation of complex molecules
000417497 260__ $$c2018
000417497 3367_ $$033$$2EndNote$$aConference Paper
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000417497 3367_ $$2BibTeX$$aINPROCEEDINGS
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000417497 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1545311680_14442$$xInvited
000417497 520__ $$aInvestigating the structure and dynamics of molecules is the goal of many theoretical and experimental studies. Fixing molecules in space facilitates and improves a variety of experimental techniques such as x-ray or electron diffraction, photoelectron imaging and high-harmonic generation. Techniques used to fix molecules in space include adiabatic and impulsive alignment and mixed-field orientation. Strong degrees of alignment and orientation have been achieved for different symmetric and asymmetric top molecules using these methods. For many molecular systems, the rigid rotor approximation provides a good description of the degree of alignment and orientation. However, it is a priori not clear how, in general, large amplitude internal motions, such as internal rotations, modify the overall rotational dynamics. For special cases of highly symmetric, e.g., G$_{16}$, molecules, the torsion-rotation coupling was observed [1,2]. However, more generic solute-solvent clusters with unsymmetric structures and light and fast internal rotors have not been treated.Here, we theoretically investigate the impact of the coupling of the rotational angular momentum and internal rotation or nuclear spins on the alignment and mixed-field orientation of different molecular systems. We analyze the adiabatic alignment and mixed-field orientation of the prototypical indole(H$_2$O) cluster [3,4] where the water molecule undergoes and internal rotation. Our results for the rotational and torsional dynamics show that the coupling of the internal and overall rotation is small and that indole(H$_2$O) can be treated as a rigid molecule for typical laser field strengths used in experiments. In addition, we explore the parameter space for which this approximation holds and when the field-free and field-induced coupling of the two motions can no longer be neglected.A similar discussion is in order for other angular momenta, such as electronic or nuclear spins [5,6]. Thus, we also explore the role played by the hyperfine quadrupole coupling in the laser alignment dynamics of iodobenzene.References:[1] C. B. Madsen, L. B. Madsen, S. S. Viftrup, M. P. Johansson, T. B. Poulsen, L. Holmegaard, V. Kumarappan, K. A. Jørgensen, and H. Stapelfeldt , Phys. Rev. Lett. 102, 073007 (2009)[2] T. Grohmann, M. Leibscher, and T. Seideman, Phys. Rev. Lett. 118, 203201 (2017)[3] Y.-P. Chang, D. A. Horke, S. Trippel, and J. Küpper, Int. Rev. Phys. Chem. 34, 557 (2015)[4] S. Trippel, J. Wiese, T. Mullins, and J. Küpper, J. Chem. Phys., 148, 101103 (2018)[5] E. F. Thomas, A. A. Søndergaard, B. Shepperson, N. E. Henriksen, and H. Stapelfeldt, Phys. Rev. Lett. 120, 163202 (2018)[6] K. Grygoryeva, J. Rakovský, O. Votava, and M. Fárník, J. Chem. Phys., 147 013901 (2017)
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000417497 536__ $$0G:(GEPRIS)194651731$$aCUI - Hamburger Zentrum für ultraschnelle Beobachtung (194651731)$$c194651731$$x1
000417497 536__ $$0G:(EU-Grant)614507$$aCOMOTION - Controlling the Motion of Complex Molecules and Particles (614507)$$c614507$$fERC-2013-CoG$$x2
000417497 536__ $$0G:(DE-HGF)IVF-20140101$$aIVF - Impuls- und Vernetzungsfonds (IVF-20140101)$$cIVF-20140101$$x3
000417497 536__ $$0G:(GEPRIS)281310165$$aDFG project 281310165 - Abbildung chemischer Dynamik mittels laserinduzierter Elektronenbeugung im Molekülkoordinatensystem (281310165)$$c281310165$$x4
000417497 693__ $$0EXP:(DE-H253)CFEL-Exp-20150101$$5EXP:(DE-H253)CFEL-Exp-20150101$$eExperiments at CFEL$$x0
000417497 7001_ $$0P:(DE-H253)PIP1081971$$aDuchko, Andrei$$b1
000417497 7001_ $$0P:(DE-H253)PIP1031546$$aYachmenev, Andrey$$b2$$udesy
000417497 7001_ $$0P:(DE-HGF)0$$aGonzález-Feréz, Rosario$$b3$$eCorresponding author
000417497 7001_ $$0P:(DE-H253)PIP1012175$$aKüpper, Jochen$$b4$$eCorresponding author$$udesy
000417497 8564_ $$uhttp://stereodynamics18.epfl.ch
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000417497 9101_ $$0I:(DE-H253)_CFEL-20120731$$6P:(DE-H253)PIP1026178$$aCentre for Free-Electron Laser Science$$b0$$kCFEL
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000417497 9101_ $$0I:(DE-588b)2008985-5$$6P:(DE-H253)PIP1031546$$aDeutsches Elektronen-Synchrotron$$b2$$kDESY
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000417497 9101_ $$0I:(DE-588b)2008985-5$$6P:(DE-H253)PIP1012175$$aDeutsches Elektronen-Synchrotron$$b4$$kDESY
000417497 9101_ $$0I:(DE-H253)_CFEL-20120731$$6P:(DE-H253)PIP1012175$$aCentre for Free-Electron Laser Science$$b4$$kCFEL
000417497 9131_ $$0G:(DE-HGF)POF3-621$$1G:(DE-HGF)POF3-620$$2G:(DE-HGF)POF3-600$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF3-6211$$aDE-HGF$$bForschungsbereich Materie$$lVon Materie zu Materialien und Leben$$vIn-house research on the structure, dynamics and function of matter$$x0
000417497 9141_ $$y2018
000417497 9201_ $$0I:(DE-H253)FS-CFEL-1-20120731$$kFS-CFEL-1$$lCFEL-Coherent X-Ray Imaging$$x0
000417497 9201_ $$0I:(DE-H253)FS-CFEL-CMI-20220405$$kFS-CFEL-CMI$$lControlled Molecule Imaging$$x1
000417497 9201_ $$0I:(DE-H253)UNI_CUI-20121230$$kUNI/CUI$$lbeauftragt von UNI$$x2
000417497 9201_ $$0I:(DE-H253)UNI_EXP-20120731$$kUNI/EXP$$lUni Hamburg / Experimentalphysik$$x3
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