Angular Distribution of Products from Photodissociation of Diatomic Molecules

1971 ◽  
Vol 49 (19) ◽  
pp. 2425-2431 ◽  
Author(s):  
S. H. Lin ◽  
C. J. Koizumi
Keyword(s):  
Angular Distribution ◽  
Electronic Transition ◽  
Function Approximation ◽  
Adiabatic Approximation ◽  
Diatomic Molecules ◽  
Delta Function ◽  
Wave Functions ◽  
Transition Moment ◽  
Radial Wave ◽  
The Continuum

The angular distribution of dissociation products in the photodissociation of diatomic molecules has been calculated quantum-mechanically. It is shown that in the adiabatic approximation the angular distribution of the electronic transition with the transition moment along the molecular axis can be expressed as σ(θ0) = (σ0/4π) [1 + βP2 (cos θ0)], and the angular distribution for the case of perpendicular transitions is very complicated and can be approximately expressed in the same form as that for the case of parallel transitions only in the limiting conditions. Approximate calculations of the angular distribution of photodissociation are also carried out by using the delta function approximation to the continuum radial wave functions, and it is found that in this approximation β = 2 for the parallel transition; that is, the angular distribution of dissociation products is of the form cos2 θ0.

Theoretical calculations of electronic Raman effects of the NO and O2 molecules

1970 ◽  
Vol 48 (14) ◽  
pp. 1664-1674 ◽  
Author(s):  
D. W. Lepard
Keyword(s):  
Raman Spectrum ◽  
Raman Spectra ◽  
Theoretical Calculations ◽  
Diatomic Molecules ◽  
Wave Functions ◽  
Rotational Structure ◽  
Intermediate Case ◽  
First Time

This paper presents a method for calculating the relative intensities and Raman shifts of the rotational structure in electronic Raman spectra of diatomic molecules. The method is exact in the sense that the wave functions used for the calculations may belong to any intermediate case of Hund's coupling schemes. Using this method, theoretical calculations of the pure rotational and electronic Raman spectrum of NO, and the pure rotational Raman spectrum of O2, are presented. Although a calculated stick spectrum for NO was previously shown by Fast et al., the details of this calculation are given here for the first time.

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