Knowledge (XXG)

Overtone band

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188:. Solving the Schrödinger equation with the Morse potential for the molecule under consideration yields vibrational energy eigenstates with the interesting property that when one calculates transition dipole moments for various vibrational energy level transitions, the transition dipole moment is not zero for the transitions where ∆v=±2,±3,±4, etc. Thus, for real molecules, the allowed transitions are those for which ∆v=±1,±2,±3,±4, etc. The overtone band observed in the 22: 237: 184:, it can be shown that the transition dipole moment is non-zero only for transitions where ∆v=±1. Hence for an ideal, simple-harmonically vibrating bond, the vibrational spectrum contains no overtones. Of course, real molecules do not vibrate perfectly harmonically, because a bond's potential is not precisely quadratic but better approximated as a 165:" values of energy. When electromagnetic radiation is shined on a sample, the molecules can absorb energy from the radiation and change their vibrational energy state. However, the molecules can absorb energy from radiation only under certain condition, namely- there should be a change in the 161:. Thus a quadratic potential is used in the Schrödinger equation to solve for the vibrational energy eigenstates and their eigenvalues. These energy states are quantized, meaning they can assume only some " 173:
of the molecule, for transition from the lower to higher energy state, being non-zero which is an essential condition for any transition to take place in the vibrational state of the molecule (due to
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is the spectral band that occurs in a vibrational spectrum of a molecule when the molecule makes a transition from the
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of the molecule when it is vibrating. This change in the electric dipole moment of the molecule leads to the
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C.N.Banwell and E.M.McCash:Fundamentals of Molecular Spectroscopy, Tata McGraw-Hill Fourth Edition
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Generally, in order to study the vibrational spectra of molecules,
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is one such transition with ∆v=2, from v=0 to v=2 energy state.
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vibrations are assumed to be approximable as simple
146:(a non-negative integer) obtained from solving the 199:of the overtone band is very low compared to the 272: 8: 50:. Unsourced material may be challenged and 279: 265: 195:It has been experimentally found that the 203:, validating the harmonic approximation. 114:Learn how and when to remove this message 7: 233: 231: 48:adding citations to reliable sources 251:. You can help Knowledge (XXG) by 14: 235: 20: 1: 182:simple harmonic approximation 324: 230: 213:Near-infrared spectroscopy 144:vibrational quantum number 171:transition dipole moment 128:vibrational spectroscopy 180:Importantly, under the 247:-related article is a 167:electric dipole moment 142:(v=2), where v is the 303:Infrared spectroscopy 159:harmonic oscillators 148:Schrödinger equation 138:(v=0) to the second 44:improve this article 308:Spectroscopy stubs 298:Raman spectroscopy 150:for the molecule. 260: 259: 124: 123: 116: 98: 315: 281: 274: 267: 239: 232: 201:fundamental band 119: 112: 108: 105: 99: 97: 56: 24: 16: 323: 322: 318: 317: 316: 314: 313: 312: 288: 287: 286: 285: 228: 221: 209: 186:Morse potential 175:selection rules 120: 109: 103: 100: 63:"Overtone band" 57: 55: 41: 25: 12: 11: 5: 321: 319: 311: 310: 305: 300: 290: 289: 284: 283: 276: 269: 261: 258: 257: 240: 226: 225: 220: 217: 216: 215: 208: 205: 122: 121: 28: 26: 19: 13: 10: 9: 6: 4: 3: 2: 320: 309: 306: 304: 301: 299: 296: 295: 293: 282: 277: 275: 270: 268: 263: 262: 256: 254: 250: 246: 241: 238: 234: 229: 223: 222: 218: 214: 211: 210: 206: 204: 202: 198: 193: 191: 187: 183: 178: 176: 172: 168: 164: 160: 156: 155:chemical bond 151: 149: 145: 141: 140:excited state 137: 133: 132:overtone band 129: 118: 115: 107: 96: 93: 89: 86: 82: 79: 75: 72: 68: 65: –  64: 60: 59:Find sources: 53: 49: 45: 39: 38: 34: 29:This article 27: 23: 18: 17: 253:expanding it 245:spectroscopy 242: 227: 194: 179: 152: 136:ground state 131: 125: 110: 101: 91: 84: 77: 70: 58: 42:Please help 30: 190:IR spectrum 292:Categories 219:References 104:March 2012 74:newspapers 197:intensity 31:does not 207:See also 163:discrete 88:scholar 52:removed 37:sources 90:  83:  76:  69:  61:  243:This 130:, an 95:JSTOR 81:books 249:stub 67:news 35:any 33:cite 177:). 126:In 46:by 294:: 280:e 273:t 266:v 255:. 117:) 111:( 106:) 102:( 92:· 85:· 78:· 71:· 54:. 40:.

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cite
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adding citations to reliable sources
removed
"Overtone band"
news
newspapers
books
scholar
JSTOR
Learn how and when to remove this message
vibrational spectroscopy
ground state
excited state
vibrational quantum number
Schrödinger equation
chemical bond
harmonic oscillators
discrete
electric dipole moment
transition dipole moment
selection rules
simple harmonic approximation
Morse potential
IR spectrum
intensity
fundamental band
Near-infrared spectroscopy

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