Results Worksheet - Molecular Modeling 2

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Texas A&M University *

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Course

237

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Chemistry

Date

Oct 30, 2023

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pdf

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8

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e E— Fr CHEM 237 Results Worksheet Molecular Modeling Name: ame: jy(enne Penafoy Date: 0g/02/2023 Section: TAN. 5 ame: yate Monhelm The Results Worksheet should be submitted through Gradescope. Part I. (3 points tot - Toncis p otal) Low-Order Alkanes: Bond Angles, Dihedral Angles, and Bond Propane Hy, Ha /c< P <G C Hy" \,.,c e M, C,—C: Bond Length (Angstrom) b 632 A H,—C; Bond Length (Angstrom) [ 0qL A C—C>—Cs Bond Angle 112 .9d° H,—C—H. Bond Angle 06050 0 H.—Ci—C: Bond Angle (| .550 o H,—C,—H, Bond Angle (07 700 0 Electrostatic potential map color code: gue (€8S e dense ped js more e de oment (Debye): Propane dipole m 0 055y Debyc e T o s &
CHEM 237 Results Worksheet Molecular Modeling Anti-Butane Ho, /He H . o H \Hc e \Hg Ci~C—C; Bond Angle "/ (1%-303° / H.~Ci-C; Bond Angle l [ -49¢° 7 H,~Ci~H, Bond Angle ) I 107 b5° 7 He—C;—H. Bond Angle / 105 qq7° 7 Ci—C:-C3~C; Dihiedral Angle l 190° 7 H—Ci~C»~C; Dihedral Angle l 69 .g4qe 7 S | 3.2928 &5, o0l |
CHEM 237 Results Worksheet Molecular Modeling Gauche-Butane Ha RN i “«“‘7°’\.c( S ] Hf‘“.. \H 9 p Ci~Ci—C; Bond Angle 1y -4yow® k ) H.~C:~C: Bond Angle Ir-081° } H.—C—H,, Bond Angle (07 -574° Hs~Cr—H. Bond Angle [0k 0O410° B C—C:Cs—C, Dihedral Angle (,5.301° E H,—~C1—C»~C; Dihedral Angle b7 0 M K Hy,—H; Distance (Angstrom) 2.0 4 L Total Energy (kJ/mol) 4 1oy Keall mol | {/i How does the total energy of gauche-butane compare to the total energy of anti-butane? Which is more stable? Why? quach qreater than anfl” N total enerqy, Anti- 15 More Staple due to fower Tofal enerqy
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