Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
COMPUTATIONAL STUDY ON THE ROUTE OF COOPERATIVE ORGANOCATALYSIS UTILIZING THIOUREA AND HALOGEN BOND DONOR MIXTURE. / Ильин, Михаил Вячеславович; Новиков, Александр Сергеевич.
в: Russian Journal of General Chemistry, Том 94, № Suppl 1, 21.03.2024, стр. S129–S137.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
}
TY - JOUR
T1 - COMPUTATIONAL STUDY ON THE ROUTE OF COOPERATIVE ORGANOCATALYSIS UTILIZING THIOUREA AND HALOGEN BOND DONOR MIXTURE
AU - Ильин, Михаил Вячеславович
AU - Новиков, Александр Сергеевич
PY - 2024/3/21
Y1 - 2024/3/21
N2 - Abstract: A computational analysis of possible routes of cooperative catalysis involving hydrogen bond donating thiourea and halogen bond donating organocatalysts was carried out. For the model systems involving thiourea and 2-iodoimidazolium or iodonium salt derivatives, the previously suggested route including sequential electrophilic activation of a reaction electrophile via XB-activated HB donor was ruled out.
AB - Abstract: A computational analysis of possible routes of cooperative catalysis involving hydrogen bond donating thiourea and halogen bond donating organocatalysts was carried out. For the model systems involving thiourea and 2-iodoimidazolium or iodonium salt derivatives, the previously suggested route including sequential electrophilic activation of a reaction electrophile via XB-activated HB donor was ruled out.
KW - cooperative effects
KW - hypervalent compounds
KW - iodine
KW - organocatalysis
KW - thiourea
UR - https://www.mendeley.com/catalogue/6f1f46b2-280f-3da5-aeab-b21282861dbd/
U2 - 10.1134/s1070363224140135
DO - 10.1134/s1070363224140135
M3 - Article
VL - 94
SP - S129–S137
JO - Russian Journal of General Chemistry
JF - Russian Journal of General Chemistry
SN - 1070-3632
IS - Suppl 1
ER -
ID: 113647906