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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# 2: Molecular Spectroscopy"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 1, Page number 56"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"energy is 4.75 *10**-4 eV\n",
"angular velocity is 10.21 *10**11 rad/sec\n",
"answer in the book varies due to rounding off errors\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"h=6.62*10**-34; #planck's constant\n",
"I=1.46*10**-46; #moment of inertia(kg-m**2)\n",
"e=1.6*10**-19; #charge(coulomb)\n",
"\n",
"#Calculations\n",
"Er=2*(h**2)/(8*math.pi**2*I*e); #energy(eV)\n",
"omega=math.sqrt(2*Er*e/I); #angular velocity(rad/sec)\n",
"\n",
"#Result\n",
"print \"energy is\",round(Er*10**4,2),\"*10**-4 eV\"\n",
"print \"angular velocity is\",round(omega*10**-11,2),\"*10**11 rad/sec\"\n",
"print \"answer in the book varies due to rounding off errors\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 2, Page number 62"
]
},
{
"cell_type": "code",
"execution_count": 15,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"frequency of vibration is 2.04 *10**13 Hertz\n",
"spacing between energy levels is 8.44 *10**-2 eV\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"h=6.63*10**-34; #planck's constant\n",
"K=187; #force constant(N/m)\n",
"mew=1.14*10**-26; #reduced mass(kg)\n",
"c=6.242*10**18; #conversion factor\n",
"\n",
"#Calculations\n",
"vnew=math.sqrt(K/mew)/(2*math.pi); #frequency of vibration(Hertz)\n",
"delta_E=h*vnew; #spacing between energy levels(J)\n",
"delta_E=delta_E*c; #spacing between energy levels(eV)\n",
"\n",
"#Result\n",
"print \"frequency of vibration is\",round(vnew/10**13,2),\"*10**13 Hertz\"\n",
"print \"spacing between energy levels is\",round(delta_E*10**2,2),\"*10**-2 eV\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 3, Page number 68"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"wavelength of antistokes line 5401 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"lamda0=5460*10**-8; #wavelength(cm)\n",
"lamdas=5520*10**-8; #wavelength(cm)\n",
"\n",
"#Calculations\n",
"new0=1/lamda0; #frequency(cm-1)\n",
"news=1/lamdas; #frequency(cm-1)\n",
"delta_new=new0-news; #difference in frequency(cm-1)\n",
"new_as=delta_new+new0; #frequency of anti-stokes line(cm-1)\n",
"lamda_as=1*10**8/new_as; #wavelength of antistokes line(angstrom)\n",
"\n",
"#Result\n",
"print \"wavelength of antistokes line\",int(lamda_as),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 4, Page number 68"
]
},
{
"cell_type": "code",
"execution_count": 9,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"raman shift is 459.2 *10**2 m-1\n",
"wavelength of antistokes line 4272.5 angstrom\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"lamda0=4358*10**-10; #wavelength(m)\n",
"lamda1=4447*10**-10; #wavelength(m)\n",
"\n",
"#Calculations\n",
"new0=1/lamda0; #frequency(m-1)\n",
"new1=1/lamda1; #frequency(m-1)\n",
"rs=new0-new1; #raman shift(m-1)\n",
"new_as=new0+rs; #frequency of anti-stokes line(cm-1)\n",
"lamda_as=1*10**10/new_as; #wavelength of antistokes line(angstrom)\n",
"\n",
"#Result\n",
"print \"raman shift is\",round(rs/10**2,1),\"*10**2 m-1\"\n",
"print \"wavelength of antistokes line\",round(lamda_as,1),\"angstrom\""
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Example number 5, Page number 71"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ratio of wave numbers is 1 : 0.52 : 0.31\n"
]
}
],
"source": [
"#importing modules\n",
"import math\n",
"from __future__ import division\n",
"\n",
"#Variable declaration \n",
"K1=4141.3; #wave number of HF(cm-1)\n",
"K2=2988.9; #wave number of HCl(cm-1)\n",
"K3=2309.5; #wave number of HI(cm-1)\n",
"c=1; #assume as common factor in ratio\n",
"\n",
"#Calculations\n",
"a=(K2/K1)**2; #ratio of wave numbers of HF and HCl\n",
"b=(K3/K1)**2; #ratio of wave numbers of HF and HI\n",
"\n",
"#Result\n",
"print \"ratio of wave numbers is\",c,\":\",round(a,2),\":\",round(b,2)"
]
}
],
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"kernelspec": {
"display_name": "Python 2",
"language": "python",
"name": "python2"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 2
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"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython2",
"version": "2.7.11"
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"nbformat": 4,
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|
