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dc.creatorOstojić, Bojana
dc.creatorĐorđević, Dragana
dc.date.accessioned2019-01-30T17:57:19Z
dc.date.available2019-01-30T17:57:19Z
dc.date.issued2018
dc.identifier.issn1385-2728
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2288
dc.description.abstractThis manuscript gives a summary of photoinduced processes in several Nitropolycyclic Aromatic Hydrocarbons (NPAHs) (nitronaphthalene, nitrofluorene, nitroanthracene, and nitropyrene) as well as the results of the TD-DFT calculations of the excited states and the geometries in the ground and first singlet excited electronic states of three isomers of nitrophenanthrene (1NPh, 3NPh, and 9NPh) which are presented for the first time. The decay of the first excited singlet state can lead to different pathways depending on a variety of factors: the energy gap between the S-1 state and the nearest state from the triplet manifold, geometries of the electronic states, electronic configuration of the states, etc. The gas phase NPAH molecule can bind to particulate matter in the atmosphere and different solvents present in the aerosol can activate or inhibit photoprocesses. These events depend strongly on the solvent polarity. We reviewed experimental studies that explored these variations of photoinduced processes in conjuction with TD-DFT and ab initio computations.en
dc.publisherBentham Science Publ Ltd, Sharjah
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172001/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS//
dc.rightsrestrictedAccess
dc.sourceCurrent Organic Chemistry
dc.subjectNitrated polycyclic aromatic hydrocarbonsen
dc.subjectphotochemistryen
dc.subjectexcited electronic statesen
dc.subjecttime-resolved photoelectron spectroscopyen
dc.subjectdensity functional theoryen
dc.subjectsolvent effectsen
dc.subjectnitrophenanthrenesen
dc.titlePhotochemistry of Nitrated Polycyclic Aromatic Hydrocarbons under Solar Radiationen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractЂорђевић, Драгана; Остојић, Бојана;
dc.citation.volume22
dc.citation.issue10
dc.citation.spage973
dc.citation.epage986
dc.citation.other22(10): 973-986
dc.citation.rankM22
dc.identifier.doi10.2174/1385272821666171116161755
dc.identifier.rcubConv_3945
dc.identifier.scopus2-s2.0-85048951946
dc.identifier.wos000434137900004
dc.type.versionpublishedVersion


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