OSU Navigation Bar

The Ohio State University University Libraries Knowledge Bank

The Knowledge Bank is scheduled for regular maintenance on Sunday, April 20th, 8:00 am to 12:00 pm EDT. During this time users will not be able to register, login, or submit content.

ANHARMONIC POTENTIAL CONSTANTS FOR NITROGEN DIOXIDE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/9288

Show full item record

Files Size Format View
1975-MG-11.jpg 182.0Kb JPEG image Thumbnail of ANHARMONIC POTENTIAL CONSTANTS FOR NITROGEN DIOXIDE

Title: ANHARMONIC POTENTIAL CONSTANTS FOR NITROGEN DIOXIDE
Creators: Hardwick, J. L.; Brand, J. C. D.
Issue Date: 1975
Abstract: Data from recent infrared and resonance fluorescence analyses have been used to determine an equilibrium geometry and potential function through quartic terms for the ground electronic state of $NO_{2}$, using (a) the conventional perturbation expansion Hamiltonian, and (b) the non-rigid bender $Hamiltonian^{1}$ to fit virtual spin-free vibration-rotational term values. The latter Hamiltonian reproduces the term values of states with N $\leq$; 10, K $\leq$; 5,and $V_{2}$ $\leq$; 3 to within $0.02 cm^{-1}$. The fit to higher vibrational levels and the ability of the Hamiltonians to reproduce the spectra of Isotopically substituted molecules will be discussed. $$\begin{array}{l@{\hspace{30pt}}l} \multicolumn{1}{c}{r_e = 1.1946 {\AA}} &\multicolumn{1}{c}{\theta_e = 113.89^{\circ}} \\ f_{rr} = 10.9061 \mbox{ md/{\AA}} &f_{rrr} = - 90.9110 \mbox{ md/{\AA}}^2\\ f_{rr^{\prime}} = 1.9354 \mbox{ md{\AA}} &f_{rrr^{\prime}} = -3.2048\mbox{ md/{\AA}}^2\\ f_{r\theta} = 0.4819 \mbox{ md/rad} & f_{rr\theta} = 0.1439 \mbox{ md/{\AA} rad}\\ f_{\theta\theta} = 1.6101 \mbox{ md {\AA}/rad}^2 & f_{rr^{\prime} \theta} = -1.2355 \mbox{ md/{\AA} rad}\\ & f_{r\theta\theta} = -2.2691 \mbox{ md/rad}^2 \\ & f_{\theta\theta\theta} = -2.1170 \mbox{ md\AA/rad}^3 \end{array}$$ $$\begin{array}{l} f_{rrrr} = 526.3816 \mbox{ md/{\AA}}^3\\ f_{rrrr^{\prime}} = 5.4794\mbox{ md /{\AA}}^3\\ f_{rrr^{\prime} r [FIGURE]
URI: http://hdl.handle.net/1811/9288
Other Identifiers: 1975-MG-11
Bookmark and Share