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

Subject Areas :

Javad Azizian ¹ (Department of chemistry, Science and Reaserch branch, Islamic azad university, Tehran, Iran, Corresponding author E-mail address: [e-mail])
Mahdieh Entezari ² (bDepartment of chemistry, , Mahshahr branch, Islamic azad university, Mahshahr, Iran)
Hossein Anaraki Ardakanib ³ (Department of chemistry, , Mahshahr branch, Islamic azad university, Mahshahr, Iran)
Shahab Zomorrodbakhsh ⁴ (Department of chemistry, , Mahshahr branch, Islamic azad university, Mahshahr, Iran)

Received: 2018-03-11 Accepted : 2018-04-29 Published : 2018-05-01

Keywords: bond length, anomeric effect, 2- phosphinane, axial and equatorial position, Ab initio calculations,

Abstract :

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.