Theoretical study of conformational properties and the anomeric effect study of the 2- phosphinanes

Journal of Chemical Reactivity and Synthesis

مقاله 7، دوره 8، شماره 2، تیر 2018، صفحه 55-61   

نوع مقاله: Research Article

نویسندگان

Javad Azizian^{* 1}؛ Mahdieh Entezari²؛ Hossein Anaraki Ardakanib³؛ Shahab Zomorrodbakhsh³

¹Department of chemistry, Science and Reaserch branch, Islamic azad university, Tehran, Iran, Corresponding author E-mail address: [e-mail]

²bDepartment of chemistry, , Mahshahr branch, Islamic azad university, Mahshahr, Iran

³Department of chemistry, , Mahshahr branch, Islamic azad university, Mahshahr, Iran

چکیده

Ab initio HF/6-31G* Methode was employed to calculate  the bond length in 2- phosphinanes  when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of  the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2-boromo substituented phosphinanes. The effect of anomeric effect have been effected on the bond length in
2- phosphinanes. 

کلیدواژه‌ها

anomeric effect؛ 2- phosphinane؛ bond length؛ axial and equatorial position؛ Ab initio calculations