Journal of Photochemistry and Photobiology A: Chemistry 355 (2018) 256–266 Contents lists available at ScienceDirect Journal of Photochemistry and Photobiology A: Chemistry journal home page : www.elsevier.com/locat e/jphotochem Invited feature article Excited-state proton transfer induced [4 + 2] and [4 + 4] photocycloaddition reactions of an oxazoline: Mechanism and selectivity Chunxiang Li, Pin Xiao, Wei-Hai Fang, Ganglong Cui Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China A R T I C L E I N F O A B S T R A C T Article history: [4 + 4] and [4 + 2] photocycloadditions have not computationally attracted the same level of attention as Received 30 June 2017 Received in revised form 3 September 2017 [2 + 2] photocycloadditions. Herein we have employed density-functional theory (DFT), complete active- Accepted 5 September 2017 space self-consistent ﬁeld (CASSCF), and its multi-state second-order perturbation theory (MS-CASPT2) Available online 6 September 2017 methods to systematically explore excited-state intramolecular proton transfer (ESIPT) induced [4 + 4] and [4 + 2] photocycloaddition mechanisms of an oxazoline. On the basis of the results, we have found Keywords: that the ESIPTs in the S state
Journal of Photochemistry and Photobiology A: Chemistry – Elsevier
Published: Mar 15, 2018
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera