Molecular Shape and Polarity - Results and Discussion Part...

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-1 Results and Discussion Part A – Learning to use the software For Part A, all procedures were followed as directed in the lab manual. An NH 3 (ammonia) molecule was built using the Spartan software program on the lab computers. Bond lengths and angles were recorded. The molecule was then optimized to achieve the specific molecular shape particular to the specific forces acting within it. After optimizing the structure, bond lengths and angles were again recorded, along with molecular polarity and partial charges. NH 3 Distance of N-H bond = 1.012 Ǻ Distance between H atoms = 1.653 Ǻ H-N-H angle = 109.5 ْ N-H-H angle = 35.26 ْ The molecule was then optimized. Distance of N-H bond = 1.003 Ǻ H-N-H angle = 107.21 ْ H charge = 0.361 N charge = -1.087 The dipole arrow was directed upward with a magnitude of 1.92 D. The procedure for NH 3 was then repeated for four other molecules (Part B). For the remaining molecules, immediately after the molecule was built, it was optimized SF 4 Distance of axial S-F bonds = 1.637 Ǻ
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This note was uploaded on 03/31/2008 for the course CHEM 2070 taught by Professor Chirik,p during the Fall '05 term at Cornell University (Engineering School).

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Molecular Shape and Polarity - Results and Discussion Part...

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