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Modeling Molecular Structures with HyperChem
Modeling Molecular Structures with HyperChem

Chapter 8 Summary
Chapter 8 Summary

chapter 8 - Faculty Server Contact
chapter 8 - Faculty Server Contact

... • The object is in translational static equilibrium if its linear acceleration and linear velocity are both zero • The object is in rotational static equilibrium if its angular acceleration and angular velocity are both ...
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... Molecular energy levels split into many fine and hyperfine components. • 1Σ alkali dimers only display hyperfine splittings. • For nonrotating states, the zero-field splitting is due to the scalar spin-spin interaction and amounts to a few μK. • For N≠1 dimers, the zero-field splitting is dominated ...
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Optically polarized atoms

... • Ratio between system size and wavelength similar to that for atoms • However, high-multipolarity transitions are often important; this is when low-multipolarity transitions are suppressed by selection rules – High-angular-momentum excited states (nuclear isomers) – Isospin-symmetry suppression of ...
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Rotational spectroscopy



Rotational spectroscopy is concerned with the measurement of the energies of transitions between quantized rotational states of molecules in the gas phase. The spectra of polar molecules can be measured in absorption or emission by microwave spectroscopy or by far infrared spectroscopy. The rotational spectra of non-polar molecules cannot be observed by those methods, but can be observed and measured by Raman spectroscopy. Rotational spectroscopy is sometimes referred to as pure rotational spectroscopy to distinguish it from rotational-vibrational spectroscopy where changes in rotational energy occur together with changes in vibrational energy, and also from ro-vibronic spectroscopy (or just vibronic spectroscopy) where rotational, vibrational and electronic energy changes occur simultaneously.For rotational spectroscopy, molecules are classified according to symmetry into spherical top, linear and symmetric top; analytical expressions can be derived for the rotational energy terms of these molecules. Analytical expressions can be derived for the fourth category, asymmetric top, for rotational levels up to J=3, but higher energy levels need to be determined using numerical methods. The rotational energies are derived theoretically by considering the molecules to be rigid rotors and then applying extra terms to account for centrifugal distortion, fine structure, hyperfine structure and Coriolis coupling. Fitting the spectra to the theoretical expressions gives numerical values of the angular moments of inertia from which very precise values of molecular bond lengths and angles can be derived in favorable cases. In the presence of an electrostatic field there is Stark splitting which allows molecular electric dipole moments to be determined.An important application of rotational spectroscopy is in exploration of the chemical composition of the interstellar medium using radio telescopes.
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