Unveiling nonlinear optical behavior in benzophenone and benzophenone hydrazone derivatives

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dc.contributor.authorAraujo R.S.
dc.contributor.authorAbegao L.M.G.
dc.contributor.authorRibeiro C.E.
dc.contributor.authorRodrigues Jr J.J.
dc.contributor.authorValle M.S.
dc.contributor.authorAlencar M.A.R.C.
dc.date.accessioned2024-07-01T06:10:21Z
dc.date.available2024-07-01T06:10:21Z
dc.date.issued2024
dc.description.abstract© The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.We systematically investigated the first-order molecular hyperpolarizability, a second-order nonlinear optical phenomenon of 185 organic compounds comprising both benzophenone and benzophenone hydrazone derivatives. We considered compounds with different combinations of electron donor groups -H, -F, -CH3, -Cl, -Br, OCH3, -NH2, -NHCH3, -NHC2H5, -N(CH3)2, and electron acceptor group -NO2 attached to the para positions R1 or R2 of the aromatic rings. The reported first-order molecular hyperpolarizability values were obtained by quantum-chemical calculations using semiempirical and density functional theory approaches in the gas phase. Our results reveal that BP-25 (R1 = NO2, R2 = N(CH3)2) and BPH-39 (R1 = N(CH3)2, R2 = NO2) exhibited the highest dynamic first-order molecular hyperpolarizability value of about. These findings underline the potential of specific BP and BPH derivatives as candidates for photonic applications, particularly for developing second harmonic generation crystals.
dc.description.issuenumber7
dc.description.volume130
dc.identifier.doi10.1007/s00340-024-08258-1
dc.identifier.issnNone
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/38795
dc.relation.ispartofApplied Physics B: Lasers and Optics
dc.rightsAcesso Restrito
dc.titleUnveiling nonlinear optical behavior in benzophenone and benzophenone hydrazone derivatives
dc.typeArtigo
local.scopus.citations0
local.scopus.eid2-s2.0-85196389169
local.scopus.subjectDonor groups
local.scopus.subjectElectron acceptor groups
local.scopus.subjectElectron donors
local.scopus.subjectFirst order
local.scopus.subjectHydrazone derivative
local.scopus.subjectMolecular hyperpolarizabilities
local.scopus.subjectNonlinear optical behavior
local.scopus.subjectNonlinear optical phenomenon
local.scopus.subjectPara position
local.scopus.subjectSecond-order nonlinear optical
local.scopus.updated2024-12-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85196389169&origin=inward
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