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If the barrier to rotation around C-C bond of bromoethane is 3.6 kcal mol/mol calculate the...
Question 6 (2 points) Consider the rotation around the C2-C3 bond of 2-methylbutane. Using the values...
Question 6 (2 points) Consider the rotation around the C2-C3 bond of 2-methylbutane. Using the values listed below, calculate the energy corresponding to (eclipsed or staggered) conformations at each 60° rotation. Define the dihedral angle (6) as the angle between the H on C2 and the methyl group on C3. Begin at the O° dihedral angle (placing C2 in front and C3 in back) and turn clockwise the front carbon. H,H eclipsing interaction = 1 kcal/mol H,CH3 eclipsing interaction =...
Show two different eclipsed and two different staggered conformtations of the molecule 2-methylbutane using the partial...
Show two different eclipsed and two different staggered
conformtations of the molecule 2-methylbutane using the partial
structures below and drawing in methyl groups where appropriate.
Underneath each calculate the total strain energy for each
structure given the torsional energies: [eclipsing H to H = 1 kcal,
H to CH3 = 1.5 kcal & CH3 to
CH3 = 4 kcal, and gauche CH3 to
CH3 = 0.9 kcal]. Then determine the barrier to rotation
around the C2-C3 bond in the
molecule....
Assuming that the bond dissociation energy of the C-H bond is 550.0 kJ mol-1 (131.5 kcal...
Assuming that the bond dissociation energy of the C-H bond is 550.0 kJ mol-1 (131.5 kcal mol-1), use the stretching frequencies given below to calculate the bond dissociation energy of the C-H bond in RCH2-H. The IR stretching frequencies are given for the C-H bonds shown in green.
REPORT SHEET FOR CONFORMATIONAL ANALYSIS OF ALKANES AND CYCLOALKANES Ethane caMMFF Calculated Energies (kcal/mole) from Property...
REPORT SHEET FOR CONFORMATIONAL ANALYSIS OF ALKANES AND CYCLOALKANES Ethane caMMFF Calculated Energies (kcal/mole) from Property box MMFF Energy AMI Energy (heat of 3-21GO Energy kJ/mole Compound Ethane staggered Ethane eclipsed: formation) (kJ/mole a.u Note: I a.u. (atomic unit)-I hartree 2625.5 kJ/mole For each calculation determine the energy barrier to rotation around the C-C bond in units of kJ/mole by subtracting the energy of eclipsed from the energy of staggered. (Hint: to obtain the 3-21G) value, subtract energies first, then...
6. Conformational Analysis: Newman Projections (25 points) Consider the rotation around the C3-C4 bond of (3R...
6. Conformational Analysis: Newman Projections (25 points) Consider the rotation around the C3-C4 bond of (3R 4R)-3,4-dibromohexane. C3-C4 bond. B Draw all three eclipsed Newman projections. In no particular order. Calculate the total strain associated with each conformation using the table below, enter on the provided line, and identify the least stable conformation (Circle it) Briefly explain your assignment of the least stable conformation - including which specific types of steric strain are involved. Short phrases are great complete sentences...
TABLE 6.1 BOND DISSOCIATION ENERGIES (A) OF COMMON BONDS KJ/MOL KCAL/MOL Bonds to H H2C=CH-CH2 HCC-CH,...
TABLE 6.1 BOND DISSOCIATION ENERGIES (A) OF COMMON BONDS KJ/MOL KCAL/MOL Bonds to H H2C=CH-CH2 HCC-CH, KJ/MOL KCAL/MOL 385 92 489117 HH 435 80 104 104 KJ/MOL KCAL/MOL 444 106 335 285 222 381 91 (CH3)2CH-F (CH) CH-CI (CH3)2CHBr (CH),CH (CH3)2CH-OH H-CH3 H-CH2CH3 HCH(CH3 H- CH3) 435 104 109 Bonds to methyl CH; CHEF CH3-C1 CH3-Br CH3 CH, OH CH I I 356 85 381 91 HC-c-X CHE (CH3)3C-H (CH3),C-F (CH),C-C1 (CH3)2C-Br (CH3), (CH)C-OH 381 444 331 106 111 464...
2. a. Draw the potential energy diagram for the rotation of the C-C bond in 1,2-dichloroethane...
2. a. Draw the potential energy diagram for the rotation of the C-C bond in 1,2-dichloroethane through 360° starting with the most stable conformer. Anti is 1.2 kcal/mol more stable than gauche. The gauche conformer is flanked by two energy barriers, 5.2 and 9.3 kcal/mol. b. Draw the conformer that is present in greatest concentration. c. Estimate the difference in stability between the most and least stable.
For each of the following compounds, predict the energy barrier to rotation (looking down any one of the C—C bonds). Dra...
For each of the following compounds, predict the energy barrier to rotation (looking down any one of the C—C bonds). Draw a Newman projection and then compare the staggered and eclipsed conformations. Remember that we assigned 4 kJ/mol to each pair of eclipsing H’s and 6 kJ/mol to an H eclipsing a methyl group: (a) 2,2-Dimethylpropane (b) 2-Methylpropane
How would I calculate an SN1 activation Barrier when I am given the enthalpies of formation?
how
would I calculate an SN1 activation Barrier when I am given the
enthalpies of formation?
AHP (kcaV/mol) Species CH3 C(CH3)3 Using data you have obtained so far, calculate the activation barrier for the slow step in the Swl 142 55 4o 141.99 reactions mechanism: SN1 activation barrier ΔHoSNI (kcal/mol) 34.04 841 C(CH3)3l I+ C(CH3)3 00 242 4.119
AHP (kcaV/mol) Species CH3 C(CH3)3 Using data you have obtained so far, calculate the activation barrier for the slow step in the...
Ho for the pre c! . Given the bond dissociation energies below in Kcal/mol, estimate the ano forth (CH),CH-CI step...
Ho for the pre c! . Given the bond dissociation energies below in Kcal/mol, estimate the ano forth (CH),CH-CI step . CHCI c) 40 kcal/mol (CH.J.CH a) +22 kcal/mol b)-22 kcal/mol e) -45 kcal/mol he major monobrominated product that results from when methylcyclopentane is subjected d) +45 kcal/mol c) a tertiary halide radical bromination is b) a secondary halide e) bromomethane a) A primary halide d) A quaternary halide 3. Which of the following is a termination a) Cl +...
Question 6 (2 points) Consider the rotation around the C2-C3 bond of 2-methylbutane. Using the values listed below, calculate the energy corresponding to (eclipsed or staggered) conformations at each 60° rotation. Define the dihedral angle (6) as the angle between the H on C2 and the methyl group on C3. Begin at the O° dihedral angle (placing C2 in front and C3 in back) and turn clockwise the front carbon. H,H eclipsing interaction = 1 kcal/mol H,CH3 eclipsing interaction =...
Show two different eclipsed and two different staggered
conformtations of the molecule 2-methylbutane using the partial
structures below and drawing in methyl groups where appropriate.
Underneath each calculate the total strain energy for each
structure given the torsional energies: [eclipsing H to H = 1 kcal,
H to CH3 = 1.5 kcal & CH3 to
CH3 = 4 kcal, and gauche CH3 to
CH3 = 0.9 kcal]. Then determine the barrier to rotation
around the C2-C3 bond in the
molecule....
Assuming that the bond dissociation energy of the C-H bond is 550.0 kJ mol-1 (131.5 kcal mol-1), use the stretching frequencies given below to calculate the bond dissociation energy of the C-H bond in RCH2-H. The IR stretching frequencies are given for the C-H bonds shown in green.
REPORT SHEET FOR CONFORMATIONAL ANALYSIS OF ALKANES AND CYCLOALKANES Ethane caMMFF Calculated Energies (kcal/mole) from Property box MMFF Energy AMI Energy (heat of 3-21GO Energy kJ/mole Compound Ethane staggered Ethane eclipsed: formation) (kJ/mole a.u Note: I a.u. (atomic unit)-I hartree 2625.5 kJ/mole For each calculation determine the energy barrier to rotation around the C-C bond in units of kJ/mole by subtracting the energy of eclipsed from the energy of staggered. (Hint: to obtain the 3-21G) value, subtract energies first, then...
6. Conformational Analysis: Newman Projections (25 points) Consider the rotation around the C3-C4 bond of (3R 4R)-3,4-dibromohexane. C3-C4 bond. B Draw all three eclipsed Newman projections. In no particular order. Calculate the total strain associated with each conformation using the table below, enter on the provided line, and identify the least stable conformation (Circle it) Briefly explain your assignment of the least stable conformation - including which specific types of steric strain are involved. Short phrases are great complete sentences...
TABLE 6.1 BOND DISSOCIATION ENERGIES (A) OF COMMON BONDS KJ/MOL KCAL/MOL Bonds to H H2C=CH-CH2 HCC-CH, KJ/MOL KCAL/MOL 385 92 489117 HH 435 80 104 104 KJ/MOL KCAL/MOL 444 106 335 285 222 381 91 (CH3)2CH-F (CH) CH-CI (CH3)2CHBr (CH),CH (CH3)2CH-OH H-CH3 H-CH2CH3 HCH(CH3 H- CH3) 435 104 109 Bonds to methyl CH; CHEF CH3-C1 CH3-Br CH3 CH, OH CH I I 356 85 381 91 HC-c-X CHE (CH3)3C-H (CH3),C-F (CH),C-C1 (CH3)2C-Br (CH3), (CH)C-OH 381 444 331 106 111 464...
2. a. Draw the potential energy diagram for the rotation of the C-C bond in 1,2-dichloroethane through 360° starting with the most stable conformer. Anti is 1.2 kcal/mol more stable than gauche. The gauche conformer is flanked by two energy barriers, 5.2 and 9.3 kcal/mol. b. Draw the conformer that is present in greatest concentration. c. Estimate the difference in stability between the most and least stable.
how
would I calculate an SN1 activation Barrier when I am given the
enthalpies of formation?
AHP (kcaV/mol) Species CH3 C(CH3)3 Using data you have obtained so far, calculate the activation barrier for the slow step in the Swl 142 55 4o 141.99 reactions mechanism: SN1 activation barrier ΔHoSNI (kcal/mol) 34.04 841 C(CH3)3l I+ C(CH3)3 00 242 4.119
AHP (kcaV/mol) Species CH3 C(CH3)3 Using data you have obtained so far, calculate the activation barrier for the slow step in the...
Ho for the pre c! . Given the bond dissociation energies below in Kcal/mol, estimate the ano forth (CH),CH-CI step . CHCI c) 40 kcal/mol (CH.J.CH a) +22 kcal/mol b)-22 kcal/mol e) -45 kcal/mol he major monobrominated product that results from when methylcyclopentane is subjected d) +45 kcal/mol c) a tertiary halide radical bromination is b) a secondary halide e) bromomethane a) A primary halide d) A quaternary halide 3. Which of the following is a termination a) Cl +...
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