Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Carboxonium derivatives based on closo -dodecaborate anions [1,2-B 12 H 10 O 2 CR] − : synthesis and molecular orbital analysis. / Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.
в: New Journal of Chemistry, Том 48, № 18, 17.04.2024, стр. 8361-8370.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Carboxonium derivatives based on closo -dodecaborate anions [1,2-B 12 H 10 O 2 CR] − : synthesis and molecular orbital analysis
AU - Kolbunova, Anastasia V.
AU - Klyukin, Ilya N.
AU - Novikov, Alexander S.
AU - Nelyubin, Alexey V.
AU - Zhdanov, Andrey P.
AU - Kubasov, Alexey S.
AU - Selivanov, Nikita A.
AU - Bykov, Alexander Yu.
AU - Zhizhin, Konstantin Yu.
AU - Kuznetsov, Nikolay T.
PY - 2024/4/17
Y1 - 2024/4/17
N2 - Borylated carboxonium ions based on closo-dodecaborate anions were obtained by studying the interaction of [B12H12]2− with some carboxylic acids (RCOOH, R = CH3, C2H5, C3H7, and C6H5) in the presence of electrophilic inducers. Several electrophilic inducers were tested, and the best results were achieved with BF3*(C2H5)2O. It was established that, as in the case of closo-decaborate carboxonium derivatives, the process of [1,2-B12H10O2CR]− preparation occurs through the formation of the monosubstituted carboxonium derivative [B12H11OC(OR′)R]−, where R′ = H and C2H5. The structures of the tetrabutylammonium salts of the carboxonium derivative ((C4H9)4N)[1,2-B12H10O2CR] were established with the help of X-ray structure analysis. Comprehensive molecular orbital (MO) analysis was also carried out, and the nature of the interaction between the cluster cage and organic moiety was analysed theoretically.
AB - Borylated carboxonium ions based on closo-dodecaborate anions were obtained by studying the interaction of [B12H12]2− with some carboxylic acids (RCOOH, R = CH3, C2H5, C3H7, and C6H5) in the presence of electrophilic inducers. Several electrophilic inducers were tested, and the best results were achieved with BF3*(C2H5)2O. It was established that, as in the case of closo-decaborate carboxonium derivatives, the process of [1,2-B12H10O2CR]− preparation occurs through the formation of the monosubstituted carboxonium derivative [B12H11OC(OR′)R]−, where R′ = H and C2H5. The structures of the tetrabutylammonium salts of the carboxonium derivative ((C4H9)4N)[1,2-B12H10O2CR] were established with the help of X-ray structure analysis. Comprehensive molecular orbital (MO) analysis was also carried out, and the nature of the interaction between the cluster cage and organic moiety was analysed theoretically.
UR - https://www.mendeley.com/catalogue/1e5a370a-788a-3b04-bc67-786680e9877c/
U2 - 10.1039/d4nj01048e
DO - 10.1039/d4nj01048e
M3 - Article
VL - 48
SP - 8361
EP - 8370
JO - New Journal of Chemistry
JF - New Journal of Chemistry
SN - 1144-0546
IS - 18
ER -
ID: 119606569