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+{
+"cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "# Chapter 11: Molecular Structure"
+ ]
+ },
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 11.1: Rotation_of_CO_molecule.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"// Scilab code Ex11.1: Pg 380 (2005)\n",
+"clc; clear;\n",
+"// Part (a)\n",
+"f = 1.15e+11; // Frequency of transitions, Hz\n",
+"omega = 2*(%pi)*f; // Angular frequency of absorbed radiations, Hz\n",
+"h_cross = 1.055e-34; // Reduced planks constant, J-s\n",
+"// Since E = (h_cross)^2/I_CM = h_cross*omega, solving for I_CM\n",
+"I_CM = h_cross/omega; // Moment of inertia of molecule about its center of mass, kg-m^2\n",
+"printf('\nThe moment of inertia of molecule about its center of mass = %4.2e kg-m^2', I_CM);\n",
+"\n",
+"// Part (b)\n",
+"m_O = 16; // Mass of oxygen atom, a.m.u\n",
+"m_C = 12; // Mass of carbon atom, a.m.u\n",
+"mu = ( m_O * m_C *0.166e-26)/(m_O + m_C); // Reduced mass, kg\n",
+"// Since I_CM = mew*R_o^2, solving for R_o\n",
+"R_0 = sqrt(I_CM/mu); // Bond length of carbon monoxide molecule, m \n",
+"printf('\nThe bond length of carbon monoxide molecule = %5.3f nm', R_0/1e-09);\n",
+"\n",
+"// Result\n",
+"// The moment of inertia of molecule about its center of mass = 1.46e-046 kg-m^2\n",
+"// The bond length of carbon monoxide molecule = 0.113 nm "
+ ]
+ }
+,
+{
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "## Example 11.2: Variation_of_CO_molecule.sce"
+ ]
+ },
+ {
+"cell_type": "code",
+ "execution_count": null,
+ "metadata": {
+ "collapsed": true
+ },
+ "outputs": [],
+"source": [
+"// Scilab code Ex11.2: Pg 383 (2005)\n",
+"clc; clear;\n",
+"\n",
+"// Part (a)\n",
+"f = 6.42e+13; // Frequency of absorption, Hz\n",
+"omega = 2*(%pi)*f; // Angular frequency of absorbed radiations, Hz\n",
+"mu = 1.14e-26; // Reduced mass of CO molecule, kg\n",
+"K = mu*(omega^2); // Effective force constant of CO molecule, N/m\n",
+"printf('\nThe effective force constant of CO molecule = %4.2e N/m', K);\n",
+"\n",
+"// Part (b)\n",
+"h_cross = 1.055e-34; // Reduced Planck's constant, J-s\n",
+"A = sqrt(h_cross/(mu*omega)); // Amplitude of vibrations, m\n",
+"printf('\nThe amplitude of vibrations = %7.5f nm', A/1e-09);\n",
+"\n",
+"// Result\n",
+"// The effective force constant of CO molecule = 1.85e+003 N/m\n",
+"// The amplitude of vibrations = 0.00479 nm "
+ ]
+ }
+],
+"metadata": {
+ "kernelspec": {
+ "display_name": "Scilab",
+ "language": "scilab",
+ "name": "scilab"
+ },
+ "language_info": {
+ "file_extension": ".sce",
+ "help_links": [
+ {
+ "text": "MetaKernel Magics",
+ "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md"
+ }
+ ],
+ "mimetype": "text/x-octave",
+ "name": "scilab",
+ "version": "0.7.1"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 0
+}