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Pregled bibliografske jedinice broj: 900801

Časopis

Autori: Novak, Jurica; Prlj, Antonio; Basarić, Nikola; Corminboeuf, Clémence; Došlić, Nađa
Naslov: Photochemistry of 1- and 2-Naphthols and Their Water Clusters : The Role of 1 ππ*(La ) Mediated Hydrogen Transfer to Carbon Atoms
Izvornik: Chemistry : a European journal (0947-6539) 23 (2017), 34; 8244-8251
Vrsta rada: članak
Ključne riječi: excited state hydrogen transfer ; hydrogen/deuterium exchange ; naphthols ; photochemistry ; water clusters
Sažetak:
The computational analysis of the isomer-and conformer-dependent photochemistry of 1- and 2-naphthols and their microsolvated water clusters is motivated by their very different excited state reactivities. We present evidence that 1- and 2-naphthol follow distinct excited state deactivation pathways. The deactivation of 2-naphthols, 2-naphthol water clusters, as well as of the anti conformer of 1-naphthol is mediated by the optically dark (1)pi sigma* state. The dynamics of the (1)pi sigma* surface leads to the homolytic cleavage of the OH bond. On the contrary, the excited state deactivation of syn 1-naphthol and 1-naphthol water clusters follows an uncommon reaction pathway. Upon excitation to the bright (1)pi pi*(L-a) state, a highly specific excited state hydrogen transfer (ESHT) to carbon atoms C8 and C5 takes place, yielding 1, 8- and 1, 5-naphthoquinone methides. The ESHT pathway arises from the intrinsic electronic properties of the (1)pi pi*(L-a) state of 1-naphthols.
Projekt / tema: HRZZ-IP-2016-06-1142, HRZZ-IP-2014-09-6312
Izvorni jezik: ENG
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
MEDLINE
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Kemija
URL Internet adrese: http://onlinelibrary.wiley.com/doi/10.1002/chem.201700691/abstract;jsessionid=414DEED9C5A129E2DEB44D83426C3BC9.f02t01
Broj citata:
Altmetric:
DOI: 10.1002/chem.201700691
URL cjelovitog teksta:
Google Scholar: Photochemistry of 1- and 2-Naphthols and Their Water Clusters : The Role of 1 ππ*(La ) Mediated Hydrogen Transfer to Carbon Atoms
Upisao u CROSBI: Nađa Došlić (Nadja.Doslic@irb.hr), 24. Lis. 2017. u 09:55 sati



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