TY - JOUR
T1 - Electron Transfer and Polar Reactions of Cyclizable Anion Radicals
T2 - Structural Consequences of Orbital Selection Rules and Chain‐Length Constraints
AU - Sastry, G. Narahari
AU - Reddy, A. Chandrasekhar
AU - Shaik, Sason
PY - 1995/7/31
Y1 - 1995/7/31
N2 - Transition states for electron transfer with strong bonding interactions are reported in the reactions of anion radicals 1 (n = 2,3). The heights of the activation barriers for the substitution and electron transfer pathways leading to 2 and 3, respectively, are a function of the length n of the methylene chain. This is predicted on the basis of orbital selection rules derived from valence bond configuration mixing analysis, and confirmed here by ab initio calculations. (Figure Presented.)
AB - Transition states for electron transfer with strong bonding interactions are reported in the reactions of anion radicals 1 (n = 2,3). The heights of the activation barriers for the substitution and electron transfer pathways leading to 2 and 3, respectively, are a function of the length n of the methylene chain. This is predicted on the basis of orbital selection rules derived from valence bond configuration mixing analysis, and confirmed here by ab initio calculations. (Figure Presented.)
KW - ab initio calculations
KW - electron transfer
KW - substitution reactions
KW - transition states
UR - http://www.scopus.com/inward/record.url?scp=33747558103&partnerID=8YFLogxK
U2 - 10.1002/anie.199514951
DO - 10.1002/anie.199514951
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AN - SCOPUS:33747558103
SN - 0570-0833
VL - 34
SP - 1495
EP - 1497
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 13-14
ER -