STERIC VERSUS ELECTRONIC EFFECTS ON NITROGEN INVERSION POTENTIAL IN SUBSTITUTED AMINES: MP2 STUDY AND AIM ANALYSIS

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Shamlouei Hamid Reza; Normohammadbeigi Motahareh

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Seminar: IRANIAN PHYSICAL CHEMISTRY CONFERENCE
Year:2013 | Issue:16

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Title

STERIC VERSUS ELECTRONIC EFFECTS ON NITROGEN INVERSION POTENTIAL IN SUBSTITUTED AMINES: MP2 STUDY AND AIM ANALYSIS

Author(s)

Shamlouei Hamid Reza | Normohammadbeigi Motahareh | Issue Writer Certificate

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Abstract

INTRODUCTION: VALENCE SHELL ELECTRON PAIR REPULSION (VSEPR) RULE WHICH IS BASED ON THE ELECTRON-PAIR ELECTROSTATIC REPULSION IS USED TO PREDICT SHAPE OF SIMPLEMOLECULES. THIS THEOREM IMPLIES THAT VOLUME OF ELECTRON PAIRS HAS THE MOST CONSIDERABLE ROLE IN SHAPE DETERMINATION OF MOLECULES AND, IF FOUR PAIRS OF ELECTRONS ARE LOCATED AROUND THE CENTRAL ATOM, THEY WILL BE TETRAHEDRON SHAPED AND THE ANGLE BETWEEN THE BONDS WILL BE ABOUT 109 DEGREES [1]. ACCORDING TO THIS THEORY, STRUCTURE OF AMMONIA IS TETRAHEDRON AND LONE PAIR OF NITROGEN OCCUPIES ONE OF ITS CORNERS, SO, ITS STRUCTURE IS PYRAMIDAL. DUE TO THE LARGER VOLUME OF LONE PAIR IN THIS MOLECULE, BONDING PAIRS OF ELECTRONS ARE PUSHED AND, THEREFORE, INTERNAL ANGLE OF THE MOLECULE IS SMALLER THAN THE ONE PREDICTED FOR TETRAHEDRON [2].

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APA: Copy

Shamlouei, Hamid Reza, & Normohammadbeigi, Motahareh. (2013). STERIC VERSUS ELECTRONIC EFFECTS ON NITROGEN INVERSION POTENTIAL IN SUBSTITUTED AMINES: MP2 STUDY AND AIM ANALYSIS. IRANIAN PHYSICAL CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/916101/en

Vancouver: Copy

Shamlouei Hamid Reza, Normohammadbeigi Motahareh. STERIC VERSUS ELECTRONIC EFFECTS ON NITROGEN INVERSION POTENTIAL IN SUBSTITUTED AMINES: MP2 STUDY AND AIM ANALYSIS. 2013. Available from: https://sid.ir/paper/916101/en

IEEE: Copy

Hamid Reza Shamlouei, and Motahareh Normohammadbeigi, “STERIC VERSUS ELECTRONIC EFFECTS ON NITROGEN INVERSION POTENTIAL IN SUBSTITUTED AMINES: MP2 STUDY AND AIM ANALYSIS,” presented at the IRANIAN PHYSICAL CHEMISTRY CONFERENCE. 2013, [Online]. Available: https://sid.ir/paper/916101/en

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