The change caused by substitution of hydrogen atoms by deuterium atoms in Hückel approximation of ethylene molecule is to be explained. Concept introduction: Hückel theory deals with the conjugated systems. In this theory, the π and σ bonds are treated separately. It states that the σ bonds form the overall structure of the molecule and the π bonds spread out over the carbon atoms. In Hückel approximation, the π orbitals are assumed to be the combination of the atomic orbitals of the carbon atoms which are involved in conjugation of π bonds.

Question

30. We will derive the forms of the molecular partition functions for atoms and molecules shortly in class, but the partition function that describes the translational and rotational motion of a homonuclear diatomic molecule is given by Itrans (V,T) = = 2πmkBT h² V grot (T) 4π²IKBT h² Where h is Planck's constant and I is molecular moment of inertia. The overall partition function is qmolec Qtrans qrot. Find the energy, enthalpy, entropy, and Helmholtz free energy for the translational and rotational modes of 1 mole of oxygen molecules and 1 mole of iodine molecules at 50 K and at 300 K and with a volume of 1 m³. Here is some useful data: Moment of inertia: I2 I 7.46 x 10- 45 kg m² 2 O2 I 1.91 x 101 -46 kg m²

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Question

Chapter 15, Problem 15.47E

Interpretation Introduction

Interpretation:

The change caused by substitution of hydrogen atoms by deuterium atoms in Hückel approximation of ethylene molecule is to be explained.

Concept introduction:

Hückel theory deals with the conjugated systems. In this theory, the π and σ bonds are treated separately. It states that the σ bonds form the overall structure of the molecule and the π bonds spread out over the carbon atoms. In Hückel approximation, the π orbitals are assumed to be the combination of the atomic orbitals of the carbon atoms which are involved in conjugation of π bonds.

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30. We will derive the forms of the molecular partition functions for atoms and molecules shortly in class, but the partition function that describes the translational and rotational motion of a homonuclear diatomic molecule is given by Itrans (V,T) = = 2πmkBT h² V grot (T) 4π²IKBT h² Where h is Planck's constant and I is molecular moment of inertia. The overall partition function is qmolec Qtrans qrot. Find the energy, enthalpy, entropy, and Helmholtz free energy for the translational and rotational modes of 1 mole of oxygen molecules and 1 mole of iodine molecules at 50 K and at 300 K and with a volume of 1 m³. Here is some useful data: Moment of inertia: I2 I 7.46 x 10- 45 kg m² 2 O2 I 1.91 x 101 -46 kg m²

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