CO‐Preserving Photoinduced Transfer of Cymantrenyl Moiety: a Tandem Experimental and Computational Investigation

CO‐Preserving Photoinduced Transfer of Cymantrenyl Moiety: a Tandem Experimental and Computational Investigation Научная публикация

Журнал

Chemistry: A European Journal
ISSN: 0947-6539 , E-ISSN: 1521-3765

Вых. Данные

Год: 2023, Том: 29, Номер: 29, Номер статьи : e202203949, Страниц : DOI: 10.1002/chem.202203949

Авторы

Chaliy Vasiliy Antonovich ^1,2 , Kelbysheva Elena Sergeevna ³ , Ezernitskaya Mariam Grigorievna ³ , Strelkova Tatyana Vasilevna ³ , Bochenkova Anastasia Vladimirovna ⁴ , Medvedev Michael Gennadievich ^2,3 , Telegina Lyudmila Nikolaevna ³

Организации

1	Higher Chemical College of the Russian Academy of Sciences D. Mendeleev University of Chemical Technology of Russia Miusskaya square 9 125047 Moscow Russian Federation
2	Zelinsky Institute of Organic Chemistry RAS: Institut organiceskoj himii imeni N D Zelinskogo RAN, Group of theoretical chemistry (No24), Leninsky Prospect, 47, 119334 Moscow, RUSSIAN FEDERATION
3	A N Nesmeyanov Institute of Organoelement Compounds RAS: Institut elementoorganiceskih soedinenij imeni A N Nesmeanova RAN №110 Laboratory for Mechanisms of Chemical Reactions (LMCR) RUSSIAN FEDERATION
4	Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, 119991 Moscow, Russian Federation

Cyclopentadienyl manganese tricarbonyl (cymantrene) is known to undergo photochemical reactions by releasing one of its CO ligands. Here we present the first example of a photorearrangement of a cymantrenylmethyl fragment, where it retains all its three CO ligands. A tandem experimental and DFT (density functional theory)-based computational investigation allows us to explain this unexpected behavior: the rearrangement, indeed, begins with the release of one CO ligand, but cage effect of the solvent captures this CO molecule, allowing it to rapidly reattach once the rearrangement takes place.

Chaliy V.A. , Kelbysheva E.S. , Ezernitskaya M.G. , Strelkova T.V. , Bochenkova A.V. , Medvedev M.G. , Telegina L.N.
CO‐Preserving Photoinduced Transfer of Cymantrenyl Moiety: a Tandem Experimental and Computational Investigation
Chemistry: A European Journal. 2023. V.29. N29. e202203949 . DOI: 10.1002/chem.202203949 WOS Scopus OpenAlex

≡ Web of science:	WOS:000970022000001
≡ Scopus:	2-s2.0-85152385003
≡ OpenAlex:	W4323532609