Investigation on the stability of the Enol Tautomer of Favipiravir and its derivatives by DFT, QTAIM, NBO, NLO and 1H-NMR

field_of_study

Blank

university

Al-Azhar University – Gaza

authors

Safi Z.; Wazzan N.

authors_full_names

Safi, Zaki (16199979600); Wazzan, Nuha (36155094500)

authors_id

16199979600; 36155094500

year

2023

source_title

Journal of Taibah University for Science

article_title

Investigation on the stability of the Enol Tautomer of Favipiravir and its derivatives by DFT, QTAIM, NBO, NLO and 1H-NMR

volume

17

issue

1

publisher

Taylor and Francis Ltd.

article_number

2269663

affiliations

Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, Gaza, Palestine; Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia

authors_with_affiliations

Safi Z., Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, Gaza, Palestine; Wazzan N., Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia

corresponding_author

N. Wazzan; King Abdulaziz University, Chemistry Department, Faculty of Science, Jeddah, P.O. Box 4280, 21589, Saudi Arabia; email: nwazzan@kau.edu.sa

cited_by

5

doi

10.1080/16583655.2023.2269663

author_keywords

Favipiravir; intramolecular hydrogen bond (IMHB); natural bond orbital (NBO); nonlinear optics (NLO); quantum theory of atoms in molecules (QTAIM); substitution effect