scholarly journals An MO Theoretical Study of the Photochemical Reaction of Alkanenitronate Anions to Form Hydroxamic Acids

1982 ◽  
Vol 55 (5) ◽  
pp. 1509-1513 ◽  
Author(s):  
Osamu Kikuchi ◽  
Takazumi Kanekiyo ◽  
Seiji Tanaka ◽  
Kiyoshi Naruchi ◽  
Kazutoshi Yamada
Keyword(s):  
Photochemical Reaction ◽  
Theoretical Study ◽  
Hydroxamic Acids

Can a photochemical reaction be concerted? A theoretical study of the photochemical sigmatropic rearrangement of but-1-ene

1992 ◽  
Vol 114 (14) ◽  
pp. 5805-5812 ◽  
Author(s):  
Fernando Bernardi ◽  
Massimo Olivucci ◽  
Michael A. Robb ◽  
Glauco Tonachini
Keyword(s):  
Photochemical Reaction ◽  
Theoretical Study ◽  
Sigmatropic Rearrangement

Theoretical study of hydroxamic acids

Polyhedron ◽  
1989 ◽  
Vol 8 (18) ◽  
pp. 2255-2263 ◽  
Author(s):  
N.J. Fitzpatrick ◽  
R. Mageswaran
Keyword(s):  
Theoretical Study ◽  
Hydroxamic Acids

THEORETICAL STUDY OF PHOTO-PHYSICAL PROCESSES IN 2-ARYL SUBSTITUTED INDOLES

2012 ◽  
Vol 11 (06) ◽  
pp. 1311-1322
Author(s):  
ZILONG ZHENG ◽  
YI ZHAO ◽  
SHINKOH NANBU
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Photochemical Reaction ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Ab Initio Method ◽  
Physical Processes ◽  
Strong Fluorescence ◽  
Neutral Compounds ◽  
Linear Reaction

Ab initio method is used to figure out the structures and photo-physical processes of 2-aryl substituted indoles, 2-phenylindole (2PI), 2-naphthylindole (2NI), and 2-anthracenylindole (2AI), synthesized experimentally with strong fluorescence. The results show that the photoabsorption and fluorescence measured experimentally correspond to the monovalent anions deprotonated in the indole NH end, other than the neutral compounds. During the photochemical reaction, the angles between the planes of the indole and 2-aryl substituted moieties keep unchanged, but the photo-induced intramolecular charge transfer can immediately occur in the anions. Furthermore, the photo-physical processes after photoexcitation are analyzed by using a linear reaction coordinate.

ChemInform Abstract: Theoretical Study of Hydroxamic Acids.

ChemInform ◽  
1990 ◽  
Vol 21 (3) ◽  
Author(s):  
N. J. FITZPATRICK ◽  
R. MAGESWARAN
Keyword(s):  
Theoretical Study ◽  
Hydroxamic Acids
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