Physical Chemistry
Physical Chemistry
2nd Edition
ISBN: 9781133958437
Author: Ball, David W. (david Warren), BAER, Tomas
Publisher: Wadsworth Cengage Learning,
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Chapter 18, Problem 18.18E
Interpretation Introduction

Interpretation:

The expected ratio of vibration partition functions for H2 and D2 is to be calculated.

Concept introduction:

A molecule is made up of atoms that are bonded together by covalent bonds. These bonds undergo a to and fro movement to vibrate. This vibration of the molecule contributes to the overall partition function of the system. The vibrational partition function of the diatomic atom at high temperature is represented as,

qvib=Tθv

Where,

θv represents the vibrational temperature.

T represents the temperature.

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The three normal modes of water are the symmetric stretch (3652 cm¹), the antisymmetric stretch (3756 cm¹), and the bend (1595 cm¹). (a) Calculate the molecular vibrational partition function of water at 500 K. (b) At 500 K, what fraction of water molecules have the bend excited to v₂=1. What fraction of water molecules have the symmetric stretch excited to v₁=1? Why do more molecules have the bend excited? (c) At 500 K, what fraction of water molecules have both v2-1 and v₁=1 excited?
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