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Spartan Modeling Lab

Spartan Modeling Lab - Lauren Tankesley Spartan Modeling...

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Lauren Tankesley Spartan Modeling Lab 2-21-08 1) Spartan performs a minimization of energy when there is a conformation which allows the molecule to be in the lowest stage of energy possible for that molecule. The program rotates the substituent group to the point where it is allowing the smallest amount of strain and lowest level of energy in that molecule alone. 2) The H-C-H bond angle was recorded as 109.471 degrees. This value was expected because of the tetrahedral shape of the methane molecule is literarily recorded as 109.5 degrees. 3) The 180 degree angle (when the molecule was staggered) has the lowest energy of 0 kJ/mol and the highest energy was found in the 0 degree angle (when the molecule was eclipsed) with energy of 21.7971854 kJ/mol. 4) Conformation A has the highest energy because the substituents are eclipsing each other and are in the eclipsed position. Conformation B is the conformation with the lowest energy because the substituents are as far away from each other as they can be (in the anti position.) since the
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Spartan Modeling Lab - Lauren Tankesley Spartan Modeling...

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