Gas-phase reactivity of 2,7-dimethyl-[1,2,4]-triazepine thio derivatives toward Cu+ cation: A DFT study

field_of_study

Blank

university

Al-Azhar University – Gaza

authors

Safi Z.; Lamsabhi A.M.

authors_full_names

Safi, Zaki (16199979600); Lamsabhi, Al Mokhtar (6602999857)

authors_id

16199979600; 6602999857

year

2007

source_title

Journal of Physical Chemistry A

article_title

Gas-phase reactivity of 2,7-dimethyl-[1,2,4]-triazepine thio derivatives toward Cu+ cation: A DFT study

volume

111

issue

11

page_start

2213

page_end

2219

affiliations

Department of Chemistry, Faculty of Science, Al-Azhar University of Gaza, Gaza, Palestine; Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, 28049-Madrid, Spain

authors_with_affiliations

Safi Z., Department of Chemistry, Faculty of Science, Al-Azhar University of Gaza, Gaza, Palestine; Lamsabhi A.M., Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, 28049-Madrid, Spain

corresponding_author

A.M. Lamsabhi; Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, 28049-Madrid, Spain; email: mokhtar.lamsabhi@uam.es

cited_by

14

doi

10.1021/jp068642h

index_keywords

Azepines; Cations; Copper; Electrostatics; Isomerism; Models, Molecular; Molecular Structure; Phase Transition; Sulfhydryl Compounds; Copper alloys; Density functional theory; Ketones; Positive ions; Reaction kinetics; Sulfur compounds; azepine derivative; cation; copper; thiol derivative; article; chemical structure; chemistry; electricity; isomerism; phase transition; Gas phases; Ketone tautomers; Tautomers; Thio derivatives; Derivatives