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Use the following information for the linear HCN molecule at 300K.

Use the following information for the linear HCN molecule at 300K.

Physical Chemistry
Physical Chemistry
2nd Edition
ISBN:9781133958437
Author:Ball, David W. (david Warren), BAER, Tomas
Publisher:Ball, David W. (david Warren), BAER, Tomas
Chapter18: More Statistical Thermodynamics
Section: Chapter Questions
Problem 18.4E
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Use the following information for the linear HCN molecule at 300K. 18.82 Moment of Inertia HC-N (stretch) H-C-N (bend) (degeneracy of 2) C-H (stretch) i) Calculate a) vibrational temperatures b) rotational temperatures c) the volume per state for translational motion, A³. ii) Compare the values for the partition functions for each D.O.F. of motion included in translation, rotation, and vibration (neglect electronic energy for now). iii) Given that af af aß * ƏT aß ƏT - af Show that == af ƏT 10-47 kg m² 2097 cm-¹ 713 cm-1 3311 cm-1 -kBT²0 aß iv) a) Calculate the average energy of HCN at 300K, neglecting electronic energy. You may find it easiest to use the result from (ii) to do this. Calculate your molecular energy and then convert to kJ/mol. b) Compare this value to the expected value for an ideal gas from the equipartition principle at high temperature, which would apply to all D.O.F. Explain why you do or do not see a difference from the ideal, high temperature case.
Transcribed Image Text:Use the following information for the linear HCN molecule at 300K. 18.82 Moment of Inertia HC-N (stretch) H-C-N (bend) (degeneracy of 2) C-H (stretch) i) Calculate a) vibrational temperatures b) rotational temperatures c) the volume per state for translational motion, A³. ii) Compare the values for the partition functions for each D.O.F. of motion included in translation, rotation, and vibration (neglect electronic energy for now). iii) Given that af af aß * ƏT aß ƏT - af Show that == af ƏT 10-47 kg m² 2097 cm-¹ 713 cm-1 3311 cm-1 -kBT²0 aß iv) a) Calculate the average energy of HCN at 300K, neglecting electronic energy. You may find it easiest to use the result from (ii) to do this. Calculate your molecular energy and then convert to kJ/mol. b) Compare this value to the expected value for an ideal gas from the equipartition principle at high temperature, which would apply to all D.O.F. Explain why you do or do not see a difference from the ideal, high temperature case.
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ISBN:
9781133958437
Author:
Ball, David W. (david Warren), BAER, Tomas
Publisher:
Wadsworth Cengage Learning,
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