naa a22 4500 510774504 CHVBK 20180411083226.0 cr unu---uuuuu 180411e20130901xx s 000 0 eng 10.1007/s12210-013-0248-y doi (NATIONALLICENCE)springer-10.1007/s12210-013-0248-y Aligned molecules: chirality discrimination in photodissociation and in molecular dynamics [Elektronische Daten] [Federico Palazzetti, Po-Yu Tsai, Andrea Lombardi, Masaaki Nakamura, Dock-Chil Che, Toshio Kasai, King-Chuen Lin, Vincenzo Aquilanti] Emergence of biochemical homochirality is an intriguing topic, and none of the proposed scenarios has encountered a unanimous consensus. Candidates for naturally occurring processes, which may originate chiral selection, involve interaction of matter with light and molecular collisions. We performed and report here: (1) simulations of photodissociation of an oriented chiral molecule by linearly polarized (achiral) light observing that the angular distribution of the photofragments is characteristic of each enantiomer and both differ from the racemic mixture; and (2) molecular dynamics simulations (elastic collisions of oriented hydrogen peroxide, one of the most simple chiral molecules, with Ne atom) demonstrating that the scattering and the recoil angles are specific of the enantiomeric form. The efficacy of non-chiral light (in the case of photodissociation) and of non-chiral projectile (in the case of collisions) is due to the molecular orientation, as an essential requirement to observe chiral effects. The results of the simulations, that we report in this article, provide the background for the perspective realization of experiments which go beyond the well-documented ones involving interaction of circularly polarized laser (chiral light) with the matter, specifically by making use of non-chiral, i.e. linearly polarized or unpolarized light sources, and also by obtaining chiral effects with no use at all of light, but simply inducing them by molecular collisions. The case of vortices is discussed in a companion paper. Accademia Nazionale dei Lincei, 2013 Trajectory simulations nationallicence Molecular orientation nationallicence Molecular collisions nationallicence Enantioselection nationallicence Palazzetti Federico Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut Tsai Po-Yu Department of Chemistry, National Taiwan University, Taipei, Taiwan aut Lombardi Andrea Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut Nakamura Masaaki Department of Chemistry, National Taiwan University, Taipei, Taiwan aut Che Dock-Chil Graduate School of Science, Department of Chemistry, Osaka University, Osaka, Japan aut Kasai Toshio Department of Chemistry, National Taiwan University, Taipei, Taiwan aut Lin King-Chuen Department of Chemistry, National Taiwan University, Taipei, Taiwan aut Aquilanti Vincenzo Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut Rendiconti Lincei Springer Milan 24/3(2013-09-01), 299-308 2037-4631 24:3<299 2013 24 12210 https://doi.org/10.1007/s12210-013-0248-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12210-013-0248-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Palazzetti Federico Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut NATIONALLICENCE 700 1- Tsai Po-Yu Department of Chemistry, National Taiwan University, Taipei, Taiwan aut NATIONALLICENCE 700 1- Lombardi Andrea Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut NATIONALLICENCE 700 1- Nakamura Masaaki Department of Chemistry, National Taiwan University, Taipei, Taiwan aut NATIONALLICENCE 700 1- Che Dock-Chil Graduate School of Science, Department of Chemistry, Osaka University, Osaka, Japan aut NATIONALLICENCE 700 1- Kasai Toshio Department of Chemistry, National Taiwan University, Taipei, Taiwan aut NATIONALLICENCE 700 1- Lin King-Chuen Department of Chemistry, National Taiwan University, Taipei, Taiwan aut NATIONALLICENCE 700 1- Aquilanti Vincenzo Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy aut NATIONALLICENCE 773 0- Rendiconti Lincei Springer Milan 24/3(2013-09-01), 299-308 2037-4631 24:3<299 2013 24 12210 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer