TY - JOUR

T1 - Role of dimeric and monomeric aluminum chlorides as catalysts is aromatic electrophilic substitution

AU - Volkov, A. N.

AU - Timoshkin, A. Yu

AU - Suvorov, A. V.

PY - 2004/9

Y1 - 2004/9

N2 - Aromatic electrophilic substitution reactions were simulated by ab initio calculations of the intermediate complexes and transition states involving the dimeric and monomeric forms of aluminum chloride. With the monomeric form, breaking of the catalytic cycle should be expected due to formation of a stable intermediate complex. With the dimeric form, no such complex was revealed, implying a key role this form plays in the catalysis.

AB - Aromatic electrophilic substitution reactions were simulated by ab initio calculations of the intermediate complexes and transition states involving the dimeric and monomeric forms of aluminum chloride. With the monomeric form, breaking of the catalytic cycle should be expected due to formation of a stable intermediate complex. With the dimeric form, no such complex was revealed, implying a key role this form plays in the catalysis.

UR - http://www.scopus.com/inward/record.url?scp=24644509685&partnerID=8YFLogxK

U2 - 10.1007/s11176-005-0017-4

DO - 10.1007/s11176-005-0017-4

M3 - Article

AN - SCOPUS:24644509685

VL - 74

SP - 1389

EP - 1393

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 9

ER -