Molecular Shape - Molecular Shape Lab Instructor: Xiaoxiao...

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Molecular Shape Lab Instructor: Xiaoxiao Li November 1, 2007 Printed on 30% PCW paper
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Part A: Using the Spartan computer software NH 3 and SF 4 were built and optimized using “Hartree Fock 6-31G” optimization then compared to VSEPR models drawn in prelaboratory. NH 3 measurements prior to optimization : N-H bond length: 1.012 Å Dist between two H atoms: 1.653 Å H-N-H bond angle: 109.47 ° N-H-H bond angle: 35.26 ° Shape: Trigonal pyramidal NH 3 measurements after optimization: N-H bond length: 1.003 Å H-N-H bond angle: 107.21 ° Polarity and Dipole moment: Dipole moment: 1.92 D away from H molecules Partial charge: H 0.361 H 0.361 H 0.364 N (-)1.087 Observations; the bond length of N-H shrunk a small amount due to attractive forces. The bond angle shrunk due to electron repulsion of the lone pair electron group. The molecule is polar and positive on the H side and more negative at the N. SF
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Molecular Shape - Molecular Shape Lab Instructor: Xiaoxiao...

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