Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses

Ye, Lyuzhou; Rouxel, Jérémy R.; Asban, Shahaf; Rösner, Benedikt; Mukamel, Shaul

doi:10.1021/acs.jctc.9b00346

Title: Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses

Journal Article · 23 May 2019 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.9b00346 · OSTI ID:1864802

Ye, Lyuzhou ^[1]; Rouxel, Jérémy R. ^[2]; Asban, Shahaf ^[3]; Rösner, Benedikt ^[4];

^[3]

Univ. of California, Irvine, CA (United States); University of California, Irvine
Ecole Polytechnique Federale Lausanne (Switzerland); Paul Scherrer Inst. (PSI), Villigen (Switzerland)
Univ. of California, Irvine, CA (United States)
Paul Scherrer Inst. (PSI), Villigen (Switzerland)

A twisted X-ray beam with orbital angular momentum is employed in a theoretical study to probe molecular chirality. A nonlocal response description of the matter-field coupling is adopted to account for the field short wavelength and the structured spatial profile. In this study, we use the minimal-coupling Hamiltonian, which implicitly takes into account the multipole contributions to all orders. The combined interactions of the spin and orbital angular momentum of the X-ray beam give rise to circular-helical dichroism signals, which are stronger than ordinary circular dichroism signals, and may serve as a useful tool for the study of molecular chirality in the X-ray regime.

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Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: SC0019484; FG02-04ER15571

OSTI ID:: 1864802

Alternate ID(s):: OSTI ID: 1609511

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 7 Vol. 15; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (62)

Breaking the 10 nm barrier in hard-X-ray focusing Mimura, Hidekazu; Handa, Soichiro; Kimura, Takashi Nature Physics, Vol. 6, Issue 2 https://doi.org/10.1038/nphys1457	journal	November 2009
Quantum electrodynamical corrections to the fine structure of helium Douglas, Marvin; Kroll, Norman M. Annals of Physics, Vol. 82, Issue 1 https://doi.org/10.1016/0003-4916(74)90333-9	journal	January 1974
Tunable orbital angular momentum in high-harmonic generation Gauthier, D.; Ribič, P. Rebernik; Adhikary, G. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14971	journal	April 2017
A revolution in optical manipulation Grier, David G. Nature, Vol. 424, Issue 6950 https://doi.org/10.1038/nature01935	journal	August 2003
Spiral phase contrast imaging in microscopy Fürhapter, Severin; Jesacher, Alexander; Bernet, Stefan Optics Express, Vol. 13, Issue 3 https://doi.org/10.1364/OPEX.13.000689	journal	January 2005
Generation of Spatially Broadband Twin Beams for Quantum Imaging Boyer, V.; Marino, A.; Lett, P. Physical Review Letters, Vol. 100, Issue 14 https://doi.org/10.1103/PhysRevLett.100.143601	journal	April 2008
Characterization of x-ray phase vortices by ptychographic coherent diffractive imaging Vila-Comamala, J.; Sakdinawat, A.; Guizar-Sicairos, M. Optics Letters, Vol. 39, Issue 18 https://doi.org/10.1364/OL.39.005281	journal	January 2014
Synthesis and Transfer of Chirality in Supramolecular Hydrogen Bonded Conjugated Diblock Copolymers Monnaie, Frederic; Ceunen, Ward; De Winter, Julien Macromolecules, Vol. 48, Issue 1 https://doi.org/10.1021/ma502357a	journal	December 2014
Twisted light beyond the visible Rosenzweig, James B. Nature Photonics, Vol. 13, Issue 3 https://doi.org/10.1038/s41566-019-0372-z	journal	February 2019
Extreme-Ultraviolet Vortices at a Free-Electron Laser Ribič, Primož Rebernik; Rösner, Benedikt; Gauthier, David Microscopy and Microanalysis, Vol. 24, Issue S2 https://doi.org/10.1017/S1431927618013806	journal	August 2018
Entanglement of the orbital angular momentum states of photons Mair, Alois; Vaziri, Alipasha; Weihs, Gregor Nature, Vol. 412, Issue 6844 https://doi.org/10.1038/35085529	journal	July 2001
Controlling the orbital angular momentum of high harmonic vortices Kong, Fanqi; Zhang, Chunmei; Bouchard, Frédéric Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14970	journal	April 2017
Generation of Coherent Extreme-Ultraviolet Radiation Carrying Orbital Angular Momentum Ribič, Primož Rebernik; Gauthier, David; De Ninno, Giovanni Physical Review Letters, Vol. 112, Issue 20 https://doi.org/10.1103/PhysRevLett.112.203602	journal	May 2014
Circular dichroism of cholesteric polymers and the orbital angular momentum of light Löffler, W.; Broer, D. J.; Woerdman, J. P. Physical Review A, Vol. 83, Issue 6 https://doi.org/10.1103/PhysRevA.83.065801	journal	June 2011
Direct Observation of Transfer of Angular Momentum to Absorptive Particles from a Laser Beam with a Phase Singularity He, H.; Friese, M. E. J.; Heckenberg, N. R. Physical Review Letters, Vol. 75, Issue 5 https://doi.org/10.1103/PhysRevLett.75.826	journal	July 1995
Orbital angular momentum photonic quantum interface Zhou, Zhi-Yuan; Li, Yan; Ding, Dong-Sheng Light: Science & Applications, Vol. 5, Issue 1 https://doi.org/10.1038/lsa.2016.19	journal	January 2016
Quantum Correlations in Optical Angle-Orbital Angular Momentum Variables Leach, J.; Jack, B.; Romero, J. Science, Vol. 329, Issue 5992 https://doi.org/10.1126/science.1190523	journal	August 2010
Synthesis and characterization of attosecond light vortices in the extreme ultraviolet Géneaux, R.; Camper, A.; Auguste, T. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12583	journal	August 2016
Enhanced Enantioselectivity in Excitation of Chiral Molecules by Superchiral Light Tang, Y.; Cohen, A. E. Science, Vol. 332, Issue 6027 https://doi.org/10.1126/science.1202817	journal	April 2011
On optical vortex interactions with chiral matter Andrews, D. L.; Romero, L. C. Dávila; Babiker, M. Optics Communications, Vol. 237, Issue 1-3 https://doi.org/10.1016/j.optcom.2004.03.093	journal	July 2004
Orbital angular momentum dichroism in nanoantennas Kerber, R. M.; Fitzgerald, J. M.; Oh, S. S. Communications Physics, Vol. 1, Issue 1 https://doi.org/10.1038/s42005-018-0088-2	journal	December 2018
Principles for designing ideal protein structures Koga, Nobuyasu; Tatsumi-Koga, Rie; Liu, Gaohua Nature, Vol. 491, Issue 7423 https://doi.org/10.1038/nature11600	journal	November 2012
Quantum Imaging of Nonlocal Spatial Correlations Induced by Orbital Angular Momentum Altman, Adam R.; Köprülü, Kahraman G.; Corndorf, Eric Physical Review Letters, Vol. 94, Issue 12 https://doi.org/10.1103/PhysRevLett.94.123601	journal	March 2005
Orbital angular momentum: origins, behavior and applications Yao, Alison M.; Padgett, Miles J. Advances in Optics and Photonics, Vol. 3, Issue 2 https://doi.org/10.1364/AOP.3.000161	journal	January 2011
Quantum Imaging Kolobov, Mikhail I. https://doi.org/10.1007/0-387-33988-4	book	January 2007
3D visualization of XFEL beam focusing properties using LiF crystal X-ray detector Pikuz, Tatiana; Faenov, Anatoly; Matsuoka, Takeshi Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep17713	journal	December 2015
Coordination and catalytic chemistry of phosphinoferrocene carboxamides Štěpnička, Petr Coordination Chemistry Reviews, Vol. 353 https://doi.org/10.1016/j.ccr.2017.10.003	journal	December 2017
Biocatalysis for synthesis of pharmaceuticals Patel, Ramesh N. Bioorganic & Medicinal Chemistry, Vol. 26, Issue 7 https://doi.org/10.1016/j.bmc.2017.05.023	journal	April 2018
Spiral photon sieves apodized by digital prolate spheroidal window for the generation of hard-x-ray vortex Xie, Changqing; Zhu, Xiaoli; Shi, Lina Optics Letters, Vol. 35, Issue 11 https://doi.org/10.1364/OL.35.001765	journal	January 2010
The Angular Momentum of Light Andrews, David L.; Babiker, Mohamed https://doi.org/10.1017/CBO9780511795213	book	November 2012
Chiral Lanthanide Complexes: Coordination Chemistry and Applications Aspinall, Helen C. Chemical Reviews, Vol. 102, Issue 6 https://doi.org/10.1021/cr010288q	journal	May 2002
Tweezers with a twist Padgett, Miles; Bowman, Richard Nature Photonics, Vol. 5, Issue 6 https://doi.org/10.1038/nphoton.2011.81	journal	May 2011
Apoferritin Protein Amyloid Fibrils with Tunable Chirality and Polymorphism Jurado, Rocío; Adamcik, Jozef; López-Haro, Miguel Journal of the American Chemical Society, Vol. 141, Issue 4 https://doi.org/10.1021/jacs.8b11418	journal	December 2018
An efficient second-order MC SCF method for long configuration expansions Knowles, Peter J.; Werner, Hans-Joachim Chemical Physics Letters, Vol. 115, Issue 3 https://doi.org/10.1016/0009-2614(85)80025-7	journal	April 1985
X-ray phase vortices: theory and experiment Peele, Andrew G.; Nugent, Keith A.; Mancuso, Adrian P. Journal of the Optical Society of America A, Vol. 21, Issue 8 https://doi.org/10.1364/JOSAA.21.001575	journal	January 2004
A second order multiconfiguration SCF procedure with optimum convergence Werner, Hans‐Joachim; Knowles, Peter J. The Journal of Chemical Physics, Vol. 82, Issue 11 https://doi.org/10.1063/1.448627	journal	June 1985
Measuring the topological charge of an x-ray vortex using a triangular aperture Taira, Yoshitaka; Kohmura, Yoshiki Journal of Optics, Vol. 21, Issue 4 https://doi.org/10.1088/2040-8986/ab0a51	journal	March 2019
Chirality of Amyloid Suprastructures Rubin, Noa; Perugia, Emanuel; Goldschmidt, Michal Journal of the American Chemical Society, Vol. 130, Issue 14 https://doi.org/10.1021/ja800328y	journal	April 2008
Influence of the photon orbital angular momentum on electric dipole transitions: negative experimental evidence Giammanco, F.; Perona, A.; Marsili, P. Optics Letters, Vol. 42, Issue 2 https://doi.org/10.1364/OL.42.000219	journal	January 2017
Non-linear non-local molecular electrodynamics with nano-optical fields Chernyak, Vladimir Y.; Saurabh, Prasoon; Mukamel, Shaul The Journal of Chemical Physics, Vol. 143, Issue 16 https://doi.org/10.1063/1.4934231	journal	October 2015
Extreme-Ultraviolet Vortices from a Free-Electron Laser Rebernik Ribič, Primož; Rösner, Benedikt; Gauthier, David Physical Review X, Vol. 7, Issue 3 https://doi.org/10.1103/PhysRevX.7.031036	journal	August 2017
Optical orbital angular momentum: twisted light and chirality Forbes, Kayn A.; Andrews, David L. Optics Letters, Vol. 43, Issue 3 https://doi.org/10.1364/OL.43.000435	journal	January 2018
Interactions of twisted light with chiral molecules: An experimental investigation Araoka, F.; Verbiest, T.; Clays, K. Physical Review A, Vol. 71, Issue 5 https://doi.org/10.1103/PhysRevA.71.055401	journal	May 2005
Optimal quantum cloning of orbital angular momentum photon qubits through Hong–Ou–Mandel coalescence Nagali, Eleonora; Sansoni, Linda; Sciarrino, Fabio Nature Photonics, Vol. 3, Issue 12 https://doi.org/10.1038/nphoton.2009.214	journal	November 2009
Echo-Enabled X-Ray Vortex Generation Hemsing, E.; Marinelli, A. Physical Review Letters, Vol. 109, Issue 22 https://doi.org/10.1103/PhysRevLett.109.224801	journal	November 2012
Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators Hess, Bernd A. Physical Review A, Vol. 33, Issue 6 https://doi.org/10.1103/PhysRevA.33.3742	journal	June 1986
Current vs Charge Density Contributions to Nonlinear X-ray Spectroscopy Rouxel, Jérémy R.; Kowalewski, Markus; Mukamel, Shaul Journal of Chemical Theory and Computation, Vol. 12, Issue 8 https://doi.org/10.1021/acs.jctc.6b00279	journal	July 2016
Sulfur K-edge x-ray absorption spectroscopy: A spectroscopic tool to examine the redox state of S-containing metabolites in vivo Rompel, A.; Cinco, R. M.; Latimer, M. J. Proceedings of the National Academy of Sciences, Vol. 95, Issue 11 https://doi.org/10.1073/pnas.95.11.6122	journal	May 1998
Beating the channel capacity limit for linear photonic superdense coding Barreiro, Julio T.; Wei, Tzu-Chieh; Kwiat, Paul G. Nature Physics, Vol. 4, Issue 4 https://doi.org/10.1038/nphys919	journal	March 2008
Observation of an x-ray vortex Peele, Andrew G.; McMahon, Philip J.; Paterson, David Optics Letters, Vol. 27, Issue 20 https://doi.org/10.1364/OL.27.001752	journal	January 2002
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Dunning, Thom H. The Journal of Chemical Physics, Vol. 90, Issue 2 https://doi.org/10.1063/1.456153	journal	January 1989
Interchromophoric Interactions in Chiral X-type π-Conjugated Oligomers: A Linear and Nonlinear Optical Study Cornelis, David; Franz, Edith; Asselberghs, Inge Journal of the American Chemical Society, Vol. 133, Issue 5 https://doi.org/10.1021/ja104978t	journal	January 2011
Laguerre–Gauss and Hermite–Gauss soft X-ray states generated using diffractive optics Lee, J. C. T.; Alexander, S. J.; Kevan, S. D. Nature Photonics, Vol. 13, Issue 3 https://doi.org/10.1038/s41566-018-0328-8	journal	January 2019
Time-resolved x-ray spectroscopies: Nonlinear response functions and Liouville-space pathways Tanaka, Satoshi; Chernyak, Vladimir; Mukamel, Shaul Physical Review A, Vol. 63, Issue 6 https://doi.org/10.1103/PhysRevA.63.063405	journal	May 2001
18-Qubit Entanglement with Six Photons’ Three Degrees of Freedom Wang, Xi-Lin; Luo, Yi-Han; Huang, He-Liang Physical Review Letters, Vol. 120, Issue 26 https://doi.org/10.1103/PhysRevLett.120.260502	journal	June 2018
Chiral Ionic Liquids: Design, Synthesis and Applications in Asymmetric Organo- Catalysis Singh, Avtar; Kumar Chopra, Harish Current Organic Synthesis, Vol. 14, Issue 4 https://doi.org/10.2174/1570179413666160818145415	journal	April 2017
Interaction of Ultraintense Laser Vortices with Plasma Mirrors Denoeud, A.; Chopineau, L.; Leblanc, A. Physical Review Letters, Vol. 118, Issue 3 https://doi.org/10.1103/PhysRevLett.118.033902	journal	January 2017
A quadratically convergent multiconfiguration–self‐consistent field method with simultaneous optimization of orbitals and CI coefficients Werner, Hans‐Joachim; Meyer, Wilfried The Journal of Chemical Physics, Vol. 73, Issue 5 https://doi.org/10.1063/1.440384	journal	September 1980
Optical orbital angular momentum from the curl of polarization Wang, Xi-Lin; Chen, Jing; Li, Yongnan Physical Review Letters, Vol. 105, Issue 25 https://doi.org/10.1103/PhysRevLett.105.253602	journal	December 2010
Resolving enantiomers using the optical angular momentum of twisted light Brullot, Ward; Vanbel, Maarten K.; Swusten, Tom Science Advances, Vol. 2, Issue 3 https://doi.org/10.1126/sciadv.1501349	journal	March 2016
Orbital Angular Momentum Exchange in the Interaction of Twisted Light with Molecules Babiker, M.; Bennett, C. R.; Andrews, D. L. Physical Review Letters, Vol. 89, Issue 14 https://doi.org/10.1103/PhysRevLett.89.143601	journal	September 2002
Orbital angular momentum of light and the transformation of Laguerre-Gaussian laser modes Allen, L.; Beijersbergen, M. W.; Spreeuw, R. J. C. Physical Review A, Vol. 45, Issue 11 https://doi.org/10.1103/PhysRevA.45.8185	journal	June 1992

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Title: Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses

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