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MartÃ, Josep
Luis Luis, Josep Maria Duran i Portas, Miquel 

The behaviour of the harmonic infrared frequency of diatomic molecules subjected to moderate static uniform electric fields is analysed. The potential energy expression has been developed as a function of a static uniform electric field, which brings about a formulation describing the frequency versus field strength curve. With the help of the first and second derivatives of the expressions obtained, which correspond to the first and secondorder Stark effects, it was possible to find the maxima of the frequency versus field strength curves for a series of molecules using a NewtonRaphson search. A method is proposed which requires only the calculation of a few energy derivatives at a particular value of the field strength. At the same time, the expression for the dependence of the interatomic distance on the electric field strength is derived and the minimum of this curve is found for the same species. Derived expressions and numerical results are discussed and compared with other studi  
http://hdl.handle.net/2072/204922  
eng  
Taylor & Francis  
Tots els drets reservats  
ElectroquÃmica
Electrochemistry QuÃmica quÃ ntica Quantum chemistry 

Theoretical study of the secondorder vibrational Stark effect  
info:eurepo/semantics/article  
Recercat 