Reactivity of 2,6-Dichloropurine Ribonucleoside Studied by 35Cl NQR Spectroscopy

Autor:	M. Ostafin, O. Kh. Poleshchuk, I. Dobak, J. Milecki, B. Nogaj
Rok vydání:	2008
Předmět:	Solid-state physics Chemistry Computational chemistry Chlorine atom Density functional theory Reactivity (chemistry) Electronic structure Nuclear quadrupole resonance Ribonucleoside Spectroscopy Atomic and Molecular Physics and Optics
Zdroj:	Applied Magnetic Resonance. 34:47-53
ISSN:	1613-7507 0937-9347
Popis:	2,6-Dichloropurine ribonucleoside is a precursor in the potential synthesis of anticancer and antiviral drugs. 35Cl nuclear quadrupole resonance (NQR) studies on electronic structure and the character of C–Cl bonds may provide a valuable information about the difference in reactivity of chlorine atoms present in this compound. In this work 35Cl NQR frequencies, asymmetry parameters and double-bond character for both C–Cl bonds have been determined experimentally. These parameters were then compared with the corresponding theoretical values obtained by means of the density functional theory.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a59d22e6cad22f7903d3a94bd62ffc72 https://doi.org/10.1007/s00723-008-0091-y Zobrazit plný text záznamu Full text from SpringerLink