Mostrar el registro sencillo del ítem

dc.contributor.author
Pelloni, Stefano  
dc.contributor.author
Provasi, Patricio Federico  
dc.contributor.author
Pagola, Gabriel Ignacio  
dc.contributor.author
Ferraro, Marta Beatriz  
dc.contributor.author
Lazzeretti, Paolo  
dc.date.available
2018-02-26T21:36:48Z  
dc.date.issued
2017-12  
dc.identifier.citation
Pelloni, Stefano; Provasi, Patricio Federico; Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Lazzeretti, Paolo; Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle; American Chemical Society; Journal of Physical Chemistry A; 121; 48; 12-2017; 9369-9376  
dc.identifier.issn
1089-5639  
dc.identifier.uri
http://hdl.handle.net/11336/37201  
dc.description.abstract
The trace of tensors that account for chiroptical response of the H2O2 molecule is a function of the HO-OH dihedral angle. It vanishes at 0° and 180°, due to the presence of molecular symmetry planes, but also for values in the range 90-100° of this angle, in which the molecule is unquestionably chiral. Such an atypical effect is caused by counterbalancing contributions of diagonal tensor components with nearly maximal magnitude but opposite sign, determined by electron flow in open or closed helical paths, and associated with induced electric and magnetic dipole moments and anapole moments. For values of dihedral angle external to the 90-100° interval, the helical paths become smaller in size, thus reducing the amount of cancellation among diagonal components. Shrinking of helical paths determines the appearance of extremum values of tensor traces approximately at 50° and 140° dihedral angles.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Anapoles  
dc.subject
Magnetic Properties  
dc.subject
Chirality  
dc.subject
Magnetic Dipole Moment  
dc.subject.classification
Astronomía  
dc.subject.classification
Ciencias Físicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2018-02-22T21:07:34Z  
dc.journal.volume
121  
dc.journal.number
48  
dc.journal.pagination
9369-9376  
dc.journal.pais
Estados Unidos  
dc.journal.ciudad
Washington  
dc.description.fil
Fil: Pelloni, Stefano. Polo agroindustriale di Parma c/o I.T.I.S. Galileo Galilei; Italia  
dc.description.fil
Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnológica; Argentina  
dc.description.fil
Fil: Pagola, Gabriel Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina  
dc.description.fil
Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina  
dc.description.fil
Fil: Lazzeretti, Paolo. Consiglio Nazionale delle Ricerche. Istituto di Struttura della Materia; Italia  
dc.journal.title
Journal of Physical Chemistry A  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.7b09104  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpca.7b09104