Carbonyl-ene
reaction, which involves C-C bond formation, is an essential organic reaction. Here,
we explained the possibility of the C-C
bond formation between HCHO and propene catalyzed with Ni2+, Pd2+,
and Pt2+ exchanged on ZSM-5 zeolite (metal-ZSM-5) by density
functional theory. Pt-ZSM-5 exhibits a better activity than other metal-ZSM-5
reported in present work due to high charge transfer among the platinum and
formaldehyde.
Carbonyl-ene reaction ZSM-5 zeolite Density Functional Theory Natural Bond Orbital
Birincil Dil | İngilizce |
---|---|
Bölüm | Research Article |
Yazarlar | |
Yayımlanma Tarihi | 15 Aralık 2018 |
Gönderilme Tarihi | 1 Haziran 2018 |
Yayımlandığı Sayı | Yıl 2018 Cilt: 2 Sayı: 2 |
Journal Full Title: Turkish Computational and Theoretical Chemistry
Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)