Results Worksheet - Molecular Modeling 2

pdf

School

Texas A&M University *

*We aren’t endorsed by this school

Course

237

Subject

Chemistry

Date

Oct 30, 2023

Type

pdf

Pages

Uploaded by BaronIron10780

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 1§ (€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 1§ qreater than anfl” N total enerqy, Anti- 15 More Staple due to fower Tofal enerqy

Your preview ends here

Eager to read complete document? Join bartleby learn and gain access to the full version

Access to all documents
Unlimited textbook solutions
24/7 expert homework help

CHEM 237 Workshest - Molecular Modeli .2. 2-Dimethylbutane o & ) & 'E -I Ci-CiBond Lengh I 592 A 5l " CCiBond Length © b [.552 & 7 R aatliCrCr~C) Bond Angle 8 107.q47 ° 7 7:"" - gauche-Ci~Cr-C, Bond Angle ‘1o 336 ° | % Cr-Cy-C4 Bond Angle 4 Il Q25° anthCi~CrC~C, Dihedral Angle (§0 . #auChe-0i~Cr~Cr-C, Dihedral Angle 0413 %5 B Ve Sty L Y810 Kcarimo] Part IL (2 points total) Butane Bond Rotations L "“"Mfimyourcoordlmnmrymmetrlulonuuymgnarlu” Why? symmetricol b/c it has agymm Yy-axs reflection 2. 18 this molecule always at its minimum energy conformation? Explain. NO (blc tne enerqy fluctuates

e S EM B ﬂ:: Worksheet - Molecular Modeling Provide Newman projections of the maximum/minimum e conformations. Label iy eiens e o nergy ons. | the groups in column 1 below, k éu[:m-‘\:n| (‘fi-.wl;‘:nu . Cf-'c;‘CrEfDE;:iﬂl A;'Q ‘ s MWEIIM il‘ll’l‘u‘“'ue i 0 profmtion) - 8| (Chleated) C O (Hartet) = K 180° ~|58 '4580"l | b: s — 158 4s7 :@: . 70 15345005 h » 5§ 4580 :é: i 16§ 45 LS h_ B — 183451

i A CHEM 237 Results Worksheet — Molecular Modeling L Part I11. (3 points total) Dipole Moments and A Gedanken Synthesis | In the boxes below, please draw the given molecule and indicate a dipole moment using an arrow. If no dipole is expected/observed, please write “none” in the corresponding box. Write the magnitude of the dipole moment in the designated area below. 2-Chloropropane Dipole Moment — Hypothesis Dipole Moment - Calculated ] 9 .3130 Debye Dipole Moment Magnitude AT Anti-1,2-Dichloroethane g e ] ] Cl Dipole Moment — Hypothesis Dipole Moment - Calculated 0.000 Debye Dipole Moment Magnitude Gauche-1,2-Dichloroethane Cl Cl cl cl K N\ | L Dipole Moment - Calculated pagr3ons oebyc Dipole Moment Magnitude Dipole Moment — Hypothesis

Your preview ends here

Eager to read complete document? Join bartleby learn and gain access to the full version

Access to all documents
Unlimited textbook solutions
24/7 expert homework help

237 Worksheet — Molecular Modeling ) — Rt Trans-l,Z-Dichloroethene‘ ' Cl Cl Cl Cl Dipole Moment — Hypothesis Dipole Moment - Calculated b 000 Pebye Dipole Moment Magnitude Cis-1,2-Dichloroethene " Cl Cl. . CIE AN\=/ S Cl \=L/ Dipole Moment — Hypothesis Dipole Moment - Calculated” - \ 72 16904 Dipole Moment Magnitude Build Your Own: A Molecule with No Net Dipole Moment — ‘ ; = cl cr\=mie—— Gl ‘ cl — : Your Molecule Dipole Moment - Calculated y 0 000 Dipole Moment Magnitude

CHEM 237 Results 'M—MW oo libatd whoalahd - el Part IV. (2 points total) Calculating Theoretical Infrared Spectra 0—H stretch 3603 N-H streich 13.49449 H¢=C=H stretch 22 43385 3162 =0 streten-- it .-c bend 2 (¢ 400l N-M bendl 0—"\)'(4 Sffeffnn Fipg e | 2103 ’ c=0 pend = 0-H pend C-H stretch (g5 301 1209 in stretch guiq pend - | ——