Publication:
Synthesis, characterization, third-order non-linear optical properties and DFT studies of novel SUBO bridged ball-type metallophthalocyanines

Simple item page
dc.contributor.authorGÖRK, GÜLŞEN
dc.contributor.authorsAlizadeh, Shabnam; Kosoglu, Gulsen; Erdem, Murat; Acar-Selcuki, Nursel; Ozer, Metin; Salih, Bekir; Bekaroglu, Ozer
dc.date.accessioned2022-03-12T22:54:48Z
dc.date.available2022-03-12T22:54:48Z
dc.date.issued2020
dc.description.abstractNovel 4,4 '-(((2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropane-2,1-diyl))bis(oxy)) (SUBO) bridged ball-type metallophthalocyanines were synthesized starting from 4,4 '-(((2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropane-2,1-diyl))bis(oxy))diphthalonitrile with convenient metal salts in 2-N,N-dimethylaminoethanol. A new bisphthalonitrile compound was obtained from 2,2 '-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropan-1-ol) and 4-nitrophthalonitrile in acetonitrile at reflux temperature in the presence of potassium carbonate as a catalyst. The structural characterization of the compounds was performed by elemental analysis, and infrared, ultraviolet-visible and matrix-assisted laser desorption/ionization time-of-flight mass spectroscopic methods. Nonlinear absorptions of the phthalocyanine complexes were measured using the Z-scan technique with 7 ns pulse duration at a 532 nm wavelength. It is obvious that ball-type copperphthalocyanine has a high nonlinear absorption coefficient and imaginary component of the third-order susceptibility compared to other complexes. Therefore, ball-type copperphthalocyanine can be regarded as a very good candidate for optical limiting applications. Density functional theory was used for geometry optimizations and time-dependent density functional theory calculations of electronic transitions in order to compare with the experimental results. Molecular orbital and nonlinear optical analyses were also performed with density functional theory at the CAM-B3LYP/6-31G(d,p)/LANL2DZ level. The nonlinear optical analyses show that ball-type copperphthalocyanine has significantly better nonlinear optical properties in comparison to a common reference compound, urea.
dc.identifier.doi10.1039/d0dt03366a
dc.identifier.eissn1477-9234
dc.identifier.issn1477-9226
dc.identifier.pubmed33201973
dc.identifier.urihttps://hdl.handle.net/11424/236531
dc.identifier.wosWOS:000599093600024
dc.language.isoeng
dc.publisherROYAL SOC CHEMISTRY
dc.relation.ispartofDALTON TRANSACTIONS
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectSUBSTITUTED METALLOPHTHALOCYANINES
dc.subjectELECTROCATALYTIC ACTIVITY
dc.subjectZINC-PHTHALOCYANINE
dc.subjectSENSING PROPERTIES
dc.subjectLIMITING PROPERTY
dc.subjectOXYGEN REDUCTION
dc.subjectHIGH-PERFORMANCE
dc.subjectABSORPTION
dc.subjectMETALS
dc.titleSynthesis, characterization, third-order non-linear optical properties and DFT studies of novel SUBO bridged ball-type metallophthalocyanines
dc.typearticle
dspace.entity.typePublication
local.avesis.ide1324e1f-5fc8-4ee1-a9ba-90d111bc09a6
local.import.packageSS17
local.indexed.atWOS
local.indexed.atSCOPUS
local.indexed.atPUBMED
local.journal.numberofpages11
local.journal.quartileQ1
oaire.citation.endPage17273
oaire.citation.issue47
oaire.citation.startPage17263
oaire.citation.titleDALTON TRANSACTIONS
oaire.citation.volume49
relation.isAuthorOfPublication7f33924b-1483-436a-9fd7-3f621b787090
relation.isAuthorOfPublication.latestForDiscovery7f33924b-1483-436a-9fd7-3f621b787090

Files

Collections

Research Outputs