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The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes


Knežević, Andrea; Maksić, Zvonimir
The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes // New Journal of Chemistry, 30 (2006), 2; 215-222 (međunarodna recenzija, članak, znanstveni)


Naslov
The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes

Autori
Knežević, Andrea ; Maksić, Zvonimir

Izvornik
New Journal of Chemistry (1144-0546) 30 (2006), 2; 215-222

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
The absolute proton affinity

Sažetak
Simple relationships between the absolute proton affinities APAs and second order hyperpolarizabilities gamma is found for a class of condensed aromatic molecules with the conjugated pi-electron network. Results are presented for "open" acenes and zethrenes in comparison with "closed" systems (coronene and kekulene). They indicate a strong dependence of the APA-gamma relation on the molecular shape. Since gamma is intimately related to a nonlinear response of the system, it follows that APA could serve as a useful probe for testing the nonlinear polarizability at the molecular level, thus selecting possible candidates for materials with nonlinear optical properties. It also appears that zethrenes represent very useful building blocks for NLO materials. An interesting byproduct of this study is that zethrenes could be strongly basic compounds, if dressed by a judicious selection of the electron releasing substituents placed at the strategic positions on the molecular perimeter.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekt / tema
0098004
0098058

Ustanove
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Zvonimir Maksić (autor)

Avatar Url Andrea Knežević (autor)

Citiraj ovu publikaciju

Knežević, Andrea; Maksić, Zvonimir
The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes // New Journal of Chemistry, 30 (2006), 2; 215-222 (međunarodna recenzija, članak, znanstveni)
Knežević, A. & Maksić, Z. (2006) The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes. New Journal of Chemistry, 30 (2), 215-222.
@article{article, year = {2006}, pages = {215-222}, keywords = {The absolute proton affinity}, journal = {New Journal of Chemistry}, volume = {30}, number = {2}, issn = {1144-0546}, title = {The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes}, keyword = {The absolute proton affinity} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus