RT Journal Article
T1 Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections
A1 Barbosa, Alessandra Souza
A1 Varella, Marcio T. do N.
A1 Sanchez, Sergio d'A.
A1 Ameixa, Joao
A1 Blanco Ramos, Francisco
A1 García, Gustavo
A1 Limao Vieira, Paulo
A1 da Silva, Filipe Ferreira
A1 Bettega, Marcio H. F.
AB In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in the high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7 degrees to 110 degrees. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene. Published by AIP Publishing.
PB American  Institute of Physics
SN 0021-9606
YR 2016
FD 2016-08-08
LK https://hdl.handle.net/20.500.14352/17574
UL https://hdl.handle.net/20.500.14352/17574
LA eng
NO © American  Institute of Physics 2016.A.S.B., M.T.N.V., S.d'A.S., and M.H.F.B. acknowledge the Brazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES), under CAPES/FCT Programme (Process No. 23038.002465/2014-87). M.T.N.V., S.d'A.S., and M.H.F.B. acknowledge support from the Brazilian Agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico. M.H.F.B. acknowledges support from Finep (under project CT-Infra), and M.T.N.V. from Sao Paulo Research Foundation (FAPESP). A.S.B., S.d'A.S., and M.H.F.B. acknowledge computational support from Professor Carlos M. de Carvalho at LFTC-DFis-UFPR and at LCPAD-UFPR and from CENAPAD-SP. F.F.S. acknowledges the Portuguese National Funding Agency FCT through researcher Contract No. IF-FCT IF/00380/2014 and together with P.L-V. the research Grant No. UID/FIS/00068/2013. F.B. and G.G. acknowledge partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230).
NO Ministerio de Economía y Competitividad (MINECO)
NO Brazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES), under CAPES/FCT Programme
NO Brazilian Agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico
NO Finep (under project CT-Infra)
NO Sao Paulo Research Foundation (FAPESP)
NO Portuguese National Funding Agency FCT
DS Docta Complutense
RD 15 abr 2025