Frontier orbitals and transition states in the oxidation and degradation of l-ascorbic acid: A DFT study

Organic and Biomolecular Chemistry

Volumn 13, Issue 13, 2015, Pages 4002-4015

  Yamabe, Shinichi ^a   Tsuchida, Noriko ^b   Yamazaki, Shoko ^c   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

^b SAITAMA MEDICAL UNIVERSITY   (Japan)

^c NARA UNIVERSITY OF EDUCATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; HYDROGEN BONDS; ORGANIC ACIDS; OXALIC ACID;

DEHYDROASCORBIC ACID; ELECTROLYTIC DISSOCIATION; ELECTROPHILIC ATTACK; ELEMENTARY PROCESS; FRONTIER ORBITAL ANALYSIS; FRONTIER ORBITALS; HYDROXYL RADICALS; TRANSITION STATE;

ASCORBIC ACID;

ASCORBIC ACID; BUTYRIC ACID DERIVATIVE; CARBON DIOXIDE; DEHYDROASCORBIC ACID; FREE RADICAL; GULONIC ACID; OXALIC ACID; SUGAR ACID; THREONIC ACID;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

ASCORBIC ACID; BUTYRATES; CARBON DIOXIDE; DEHYDROASCORBIC ACID; FREE RADICALS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXALIC ACID; OXIDATION-REDUCTION; QUANTUM THEORY; SUGAR ACIDS;

EID: 84925310666     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/c5ob00035a     Document Type: Article

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