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Brief summary of key equations used (rigid rotor, harmonic oscillator, anharmonicity, Frank‑Condon principle, selection rules). Would you like that summary, or would you
[ B = 192.1\ \text{m}^{-1} \times hc\ \text{(in J)}? \ \text{No – } B\ \text{in J: } B_J = (1.921\ \text{cm}^{-1}) \times (6.626\times10^{-34})(2.998\times10^{10}) = 1.921 \times 1.986\times10^{-23} = 3.814\times10^{-23}\ \text{J}. ] Then ( I = \frac{h}{8\pi^2 c B_J} ) – that’s messy. Standard formula: ( I = \frac{h}{8\pi^2 c B\ (\text{m}^{-1})} ) with (c) in m/s. \ \text{No – } B\ \text{in J: } B_J = (1
Reduced mass (\mu) of (^{12}\text{C}^{16}\text{O}): ( m_C = 12\ \text{u} = 1.9926\times10^{-26}\ \text{kg} ), ( m_O = 16\ \text{u} = 2.6568\times10^{-26}\ \text{kg} ) (\mu = \frac{m_C m_O}{m_C+m_O} = \frac{(1.9926)(2.6568)}{4.6494}\times10^{-26} = 1.1385\times10^{-26}\ \text{kg} ). ( r = \sqrt{I/\mu} = \sqrt{1.457\times10^{-46} / 1.1385\times10^{-26}} = \sqrt{1.280\times10^{-20}} = 1.131\times10^{-10}\ \text{m} = 1.131\ \text{Å} ) (literature: 1.128 Å). Problem: The IR spectrum of HCl shows a fundamental band at 2886 cm⁻¹. Calculate the force constant. Reduced mass (\mu) of (^{12}\text{C}^{16}\text{O}): ( m_C =
For a rigid diatomic rotor: [ \tilde{\nu}(J\rightarrow J+1) = 2B(J+1), \quad B = \frac{h}{8\pi^2 c I}, \quad I = \mu r^2 ] ( J=0\rightarrow1 ): (\tilde{\nu} = 2B) ⇒ ( B = \frac{3.842\ \text{cm}^{-1}}{2} = 1.921\ \text{cm}^{-1} ).