{ "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 }