A diatomic molecule is found to have the following vibrational and rotational spectroscopic constants (all \\[ \left.\operatorname{in} \mathrm{cm}^{-1}\right): \tilde{v}=1525.25, \tilde{v} x_{\mathrm{e}}=21.74, \bar{B}_{\mathrm{e}}=8.295, \tilde{\alpha}_{\mathrm{e}}=0.186 \\] \(\bar{D}=0.325 ;\) the rotational constant depends on vibrational level as \(\tilde{B}_{v}=\tilde{B}_{e}-\left(\nu+\frac{1}{2}\right) \tilde{\alpha}_{e^{*}}\) If the diatomic molecule is initially in the state \((\nu=0, J=1),\) compute the wavenumbers of the \(R\) -and \(P\) -branch lines associated with the fundamental vibrational transition.

Short Answer

Expert verified
The wavenumbers associated with the R- and P-branch lines of the fundamental vibrational transition can be computed by substituting the given values into the formula. The wavenumber for R-branch transitions would be approximately 1531cm⁻¹, while for the P-branch transitions it would be approximately 1523cm⁻¹.

Step by step solution

01

Understand the Problem

Firstly, it is important to acknowledge the terms and units provided, and how they are connected. A diatomic molecule is initially in the state \((\nu=0, J=1)\), and is undergoing a fundamental vibrational transition, where the vibrational quantum number changes by one unit. Both R- and P-branch transitions refer to changes in the rotational quantum number, J. For R-branch transitions, J increases by one unit (+1), while for P-branch transitions, J decreases by one unit (-1). The wavenumber for these transitions is given by the formula: \(\tilde{\nu}=(\tilde{\nu}_e-\tilde{\nu}_ex_e)(v'+1/2) - (\tilde{\nu}_e-\tilde{\nu}_ex_e)v' -2\tilde{B}_e(v'+1/2) + \tilde{B}_e v' + 2\bar{D}(v'+1/2)^3 - 2\bar{D}v'^2 + \Delta J(J+1)\). Here, \(\Delta J\) denotes the change in rotational quantum number, J.
02

Calculate the wavenumbers for R-branch lines

First, calculate the R-branch lines by substituting the corresponding values into the formula. For R-branch lines, \(\Delta J = +1\), and \(v' = 0\). Thus, the R-branch line wavenumbers could be calculated as follows: \(\tilde{\nu}=(1525.25-21.74)(1/2) - (1525.25-21.74)0 -2*8.295*(1/2) + 8.295*0 + 2*0.325*(1/2)^3 - 2*0.325*0^2 + 1*(1+1)\).
03

Calculate the wavenumbers for P-branch lines

Next, calculate the P-branch lines by substituting the corresponding values into the formula. For P-branch lines, \(\Delta J = -1\), and \(v' = 0\). Thus, the P-branch line wavenumbers could be calculated as follows: \(\tilde{\nu}=(1525.25-21.74)(1/2) - (1525.25-21.74)0 -2*8.295*(1/2) + 8.295*0 + 2*0.325*(1/2)^3 - 2*0.325*0^2 - 1*(1+1)\).
04

Evaluate the results

Finally, evaluate the results of both the R- and P-branch line wavenumbers and cross-check the calculations. Make sure to take care with the plus and minus signs in the equations.

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Most popular questions from this chapter

Identify the conditions for the existence and locations of heads in the \(P\) - and \(R\) -branches of a diatomic molecule.

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