CIDNP and CIDEP studies on intramolecular hydrogen abstraction reaction of polymethylene-linked xanthone and xanthene: determination of the exchange integral of the intermediate biradicals

1991 ◽  
Vol 95 (1) ◽  
pp. 197-204 ◽  
Author(s):  
Kiminori Maeda ◽  
Masahide Terazima ◽  
Tohru Azumi ◽  
Yoshifumi Tanimoto
Keyword(s):  
Hydrogen Abstraction ◽  
Exchange Integral ◽  
Abstraction Reaction ◽  
Intramolecular Hydrogen ◽  
Hydrogen Abstraction Reaction

scholarly journals MAGNETIC FIELD EFFECT ON THE INTRAMOLECULAR HYDROGEN ABSTRACTION REACTION OF n-TETRADECYL ANTHRAQUINONE-2-CARBOXYLATE

1985 ◽  
Vol 14 (1) ◽  
pp. 15-18 ◽  
Author(s):  
Yoshifumi Tanimoto ◽  
Masanobu Takashima ◽  
Megumu Uehara ◽  
Michiya Itoh ◽  
Mitsuo Hiramatsu ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Field Effect ◽  
Hydrogen Abstraction ◽  
Magnetic Field Effect ◽  
Abstraction Reaction ◽  
Intramolecular Hydrogen ◽  
Hydrogen Abstraction Reaction

Electronic ground state structure and chemistry of nitroguanidine

1975 ◽  
Vol 28 (12) ◽  
pp. 2629 ◽  
Author(s):  
J Stals ◽  
MG Pitt
Keyword(s):  
Thermal Decomposition ◽  
Ground State ◽  
Hydrogen Abstraction ◽  
Ground State Structure ◽  
State Structure ◽  
Substitution Reactions ◽  
Abstraction Reaction ◽  
Intramolecular Hydrogen ◽  
Hydrogen Abstraction Reaction ◽  
Electronic Ground

VESCF(BJ)CI MO reactivity indices were used to provide a consistent rationale for the ground state structure, thermal decomposition and chemistry of nitroguanidine (1). Intra- and inter-molecular NH...O and NH...N hydrogen bonds, attractive and repulsive coulombic forces between nitrogen and oxygen atoms, appear to determine the crystal structure of (1). An intramolecular hydrogen-abstraction reaction and the cleavage of the molecule's weakest bond, viz. (H2N)2C-NNO2, appear to be the main primary thermal decomposition pathways for (1). The nitrimino nitrogen atom and the carbon atom were postulated to be the centres of electrophilic and nucleophilic substitution reactions respectively.

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