Transition structures for hydrogen atom transfers to oxygen. Comparisons of intermolecular and intramolecular processes, and open- and closed-shell systems [Erratum to document cited in CA113(19):171436c]

1991 ◽  
Vol 113 (11) ◽  
pp. 4368-4368
Author(s):  
Andrea E. Dorigo ◽  
Margaret A. McCarrick ◽  
Richard J. Loncharich ◽  
K. N. Houk
Keyword(s):  
Hydrogen Atom ◽  
Closed Shell ◽  
Transition Structures ◽  
Hydrogen Atom Transfers

A POINT-LIKE PICTURE OF THE HYDROGEN ATOM

2004 ◽  
Vol 15 (10) ◽  
pp. 1367-1376
Author(s):  
F. FAGHIHI ◽  
A. JANGJOO ◽  
M. KHANI
Keyword(s):  
Wave Function ◽  
Simple Model ◽  
Hydrogen Atom ◽  
Basic Principle ◽  
Correspondence Principle ◽  
Three Dimensional ◽  
Closed Shell ◽  
Dimensional Shape ◽  
Three Dimensional Shape ◽  
Probability Wave

A point-like picture of the Schrödinger solution for hydrogen atom is worked to emphasize that "point-like particles" may describe as "probability wave function". In each case, the three-dimensional shape of the |Ψnlm(rn, cos θ)|2 is plotted and the paths of the point-like electron (it is better to say reduced mass of the pair particles) are described in each closed shell. Finally, the orbital shape of the molecules are given according to the present simple model. In our opinion, "interpretations of the Correspondence Principle", which is a basic principle in all elementary quantum text, seems to be reviewed again!

scholarly journals Site-selective remote C(sp3)–H heteroarylation of amides via organic photoredox catalysis

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Hui Chen ◽  
Wenjing Fan ◽  
Xiang-Ai Yuan ◽  
Shouyun Yu
Keyword(s):  
Hydrogen Atom ◽  
Room Temperature ◽  
Ph Value ◽  
Metal Free ◽  
Selective Functionalization ◽  
Site Selectivity ◽  
Hydrogen Atom Transfers ◽  
Site Selective ◽  
Neutral Conditions ◽  
Potential Complement

Abstract Radical translocation processes triggered by nitrogen-centered radicals (NCRs), such as 1,5-hydrogen atom transfers (1,5-HAT), demonstrated by the well-established Hofmann-Löffler-Freytag (HLF) reaction, provide an attractive approach for the controllable and selective functionalization of remote inert C(sp3)–H bonds. Here we report an amidyl radical-triggered site-selective remote C(sp3)–H heteroarylation of amides under organic photoredox conditions. This approach provides a mild and highly regioselective reaction affording remote C(sp3)–H heteroarylated amides at room temperature under transition-metal free, weakly basic, and redox-neutral conditions. Non-prefunctionalized heteroarenes, such as purines, thiazolopyridines, benzoxazole, benzothiazoles, benzothiophene, benzofuran, thiazoles and quinoxalines, can be alkylated directly. Sequential and orthogonal C–H functionalization of different heteroarenes by taking advantage pH value or polarity of radicals has also been achieved. DFT calculations explain and can predict the site-selectivity and reactivity of this reaction. This strategy expands the scope of the Minisci reaction and serves as its alternative and potential complement.

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