Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle

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 chi...

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Detalles Bibliográficos
Publicado: 2017
Materias:
Molecules
Stereochemistry
Tensors
Anapole moment
Electric dipole
Electron flow
Helical-path
Magnetic dipole
Molecular symmetry
Tensor components
Dihedral angle
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v121_n48_p9369_Pelloni
http://hdl.handle.net/20.500.12110/paper_10895639_v121_n48_p9369_Pelloni
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_10895639_v121_n48_p9369_Pelloni
record_format dspace
spelling paper:paper_10895639_v121_n48_p9369_Pelloni2023-06-08T16:06:37Z Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle Molecules Stereochemistry Tensors Anapole moment Electric dipole Electron flow Helical-path Magnetic dipole Molecular symmetry Tensor components Dihedral angle 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. © 2017 American Chemical Society. 2017 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v121_n48_p9369_Pelloni http://hdl.handle.net/20.500.12110/paper_10895639_v121_n48_p9369_Pelloni
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Molecules
Stereochemistry
Tensors
Anapole moment
Electric dipole
Electron flow
Helical-path
Magnetic dipole
Molecular symmetry
Tensor components
Dihedral angle
spellingShingle Molecules
Stereochemistry
Tensors
Anapole moment
Electric dipole
Electron flow
Helical-path
Magnetic dipole
Molecular symmetry
Tensor components
Dihedral angle
Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
topic_facet Molecules
Stereochemistry
Tensors
Anapole moment
Electric dipole
Electron flow
Helical-path
Magnetic dipole
Molecular symmetry
Tensor components
Dihedral angle
description 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. © 2017 American Chemical Society.
title Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
title_short Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
title_full Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
title_fullStr Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
title_full_unstemmed Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle
title_sort electric dipole-magnetic dipole polarizability and anapole magnetizability of hydrogen peroxide as functions of the hooh dihedral angle
publishDate 2017
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v121_n48_p9369_Pelloni
http://hdl.handle.net/20.500.12110/paper_10895639_v121_n48_p9369_Pelloni
_version_ 1768544376637620224

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