Homework Help is Here – Start Your Trial Now!
Science
Chemistry
Using Table 6, calculate absolute errors in energy differences (in kJ mol-¹) for both methods in the gas phase, cyclohexane and acetonitrile. Which method best predicts the difference in the gauche and trans isomers compared to experiment?

Using Table 6, calculate absolute errors in energy differences (in kJ mol-¹) for both methods in the gas phase, cyclohexane and acetonitrile. Which method best predicts the difference in the gauche and trans isomers compared to experiment?

Chemistry
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
See similar textbooks
icon
Related questions
Question
100%

Using the table, need help with this question. Thank you :)

 

Using Table 6, calculate absolute errors in energy differences (in kJ mol-¹) for both methods in the gas phase, cyclohexane and acetonitrile. Which method best predicts the difference in the gauche and trans isomers compared to experiment?
Transcribed Image Text:Using Table 6, calculate absolute errors in energy differences (in kJ mol-¹) for both methods in the gas phase, cyclohexane and acetonitrile. Which method best predicts the difference in the gauche and trans isomers compared to experiment?
Table 6: Predicted energy differences (in kJ mol-¹) between the gauche and trans conformers using the HF and MP2 methods. Medium AE(gauche-trans), kJ mol-¹ Exp. HF MP2 Gas Phase 5.0 Cyclohexane 3.8 Acetonitrile 0.6 7.9 5.4 2.1 5.7 3.5 0.5
Transcribed Image Text:Table 6: Predicted energy differences (in kJ mol-¹) between the gauche and trans conformers using the HF and MP2 methods. Medium AE(gauche-trans), kJ mol-¹ Exp. HF MP2 Gas Phase 5.0 Cyclohexane 3.8 Acetonitrile 0.6 7.9 5.4 2.1 5.7 3.5 0.5
Expert Solution
steps

Step by step

Solved in 5 steps with 1 images

SEE SOLUTIONCheck out a sample Q&A here
Blurred answer
Knowledge Booster
Sample Preparation in Analytical Chemistry
Learn more about
Need a deep-dive on the concept behind this application? Look no further. Learn more about this topic, chemistry and related others by exploring similar questions and additional content below.
Similar questions
  • SEE MORE QUESTIONS
Recommended textbooks for you
Chemistry
Chemistry
Chemistry
ISBN:
9781305957404
Author:
Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:
Cengage Learning
Chemistry
Chemistry
Chemistry
ISBN:
9781259911156
Author:
Raymond Chang Dr., Jason Overby Professor
Publisher:
McGraw-Hill Education
Principles of Instrumental Analysis
Principles of Instrumental Analysis
Chemistry
ISBN:
9781305577213
Author:
Douglas A. Skoog, F. James Holler, Stanley R. Crouch
Publisher:
Cengage Learning
Organic Chemistry
Organic Chemistry
Chemistry
ISBN:
9780078021558
Author:
Janice Gorzynski Smith Dr.
Publisher:
McGraw-Hill Education
Chemistry: Principles and Reactions
Chemistry: Principles and Reactions
Chemistry
ISBN:
9781305079373
Author:
William L. Masterton, Cecile N. Hurley
Publisher:
Cengage Learning
Elementary Principles of Chemical Processes, Bind…
Elementary Principles of Chemical Processes, Bind…
Chemistry
ISBN:
9781118431221
Author:
Richard M. Felder, Ronald W. Rousseau, Lisa G. Bullard
Publisher:
WILEY
SEE MORE TEXTBOOKS