CER - Central Repository
Institute of Chemistry, Technology and Metallurgy
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrilic)
    • Serbian (Latin)
  • Login
View Item 
  •   Central Repository
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
  •   Central Repository
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Photochemistry of Nitrated Polycyclic Aromatic Hydrocarbons under Solar Radiation

No Thumbnail
Authors
Ostojić, Bojana
Đorđević, Dragana
Article (Published version)
Metadata
Show full item record
Abstract
This 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 phot...oinduced processes in conjuction with TD-DFT and ab initio computations.

Keywords:
Nitrated polycyclic aromatic hydrocarbons / photochemistry / excited electronic states / time-resolved photoelectron spectroscopy / density functional theory / solvent effects / nitrophenanthrenes
Source:
Current Organic Chemistry, 2018, 22, 10, 973-986
Publisher:
  • Bentham Science Publ Ltd, Sharjah
Projects:
  • The study of physicochemical and biochemical processes in living environment that have impacts on pollution and the investigation of possibilities for minimizing the consequences (RS-172001)
  • Modeling and Numerical Simulations of Complex Many-Body Systems (RS-171017)

DOI: 10.2174/1385272821666171116161755

ISSN: 1385-2728

WoS: 000434137900004

Scopus: 2-s2.0-85048951946
[ Google Scholar ]
1
1
URI
http://cer.ihtm.bg.ac.rs/handle/123456789/2288
Collections
  • Radovi istraživača / Researchers' publications
Institution
IHTM

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

OpenAIRERCUB
 

 

All of DSpaceInstitutionsAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

OpenAIRERCUB