Metal-stabilized rare tautomers: N4 metalated cytosine (M = Li+, Na+, K+, Rb+ and Cs+), theoretical views
Yazarlar (3)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
Reza Ghiasi
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
M. A. Seyed Sadjadi Shahid Beheshti University, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Applied Organometallic Chemistry | ||
| Dergi ISSN | 0268-2605 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2003 |
| Cilt / Sayı / Sayfa | 17 / 8 / 635–640 | DOI | 10.1002/aoc.469 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-0041765016&partnerID=MN8TOARS | ||
| Özet |
| Ab initio calculations indicate that metalation of the exocyclic amino group of cytosine by the elements of Group IA (Li, Na, K, Rb and Cs) induces protonation of a nucleobase ring nitrogen atom, and hence causes a proton shift from an exocyclic to an endocyclic nitrogen atom. Thus, this metal-assisted process leads to the generation of rare nucleobase tautomers. The calculations suggest that this kind of metalation increases the protonation energies of the aromatic ring of the nucleobase. The present study reports the quantum chemistry analysis of the metal-assisted tautomerization. The calculations clearly demonstrate that metalation of the exocyclic amino group of the nucleobase significantly increases the protonation energy of the aromatic rings of the nucleobase. Also, absolute anisotropy shift, molecular orbital and natural bond orbital calculations are compatible with these results.© 2003 John Wiley & Sons, Ltd. |
| Anahtar Kelimeler |
| Ab initio calculation | Cytosine | Metalated cytosine | Nonmetalated cytosine | Tautomers |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 47 |
| Scopus | 85 |