Dinâmica e Espectroscopia dos Complexos de van der Waals D2O-D2, D2O-N2, D2O-9O2, D2O-CH4, ND3-D2,ND3-O2 e ND3-CH4 / Dynamics and Spectroscopy of van der Waals complexes D2O-D2, D2O-N2, D2O-O2, D2O-CH4, ND3-D2, ND3-O2 and ND3-CH4

Authors

  • Rhuiago Mendes de Oliveira Brazilian Journals Publicações de Periódicos, São José dos Pinhais, Paraná
  • Salvino Coimbra Filho
  • Francisco de Assis Parentes da Silva do Amaral Ferreira
  • Jesuino da Silva Costa Martins
  • Josyane dos Santos Braga
  • Francisco Deilson Rodrigues Barbosa de Sousa

DOI:

https://doi.org/10.34117/bjdv6n12-057

Keywords:

água, constantes espectroscópicas, dunham, DVR, energias rovibracionais.

Abstract

Neste trabalho calculamos as energias e as constantes espectroscópicas rovibracionais dos sistemas D2O-D2, D2O-N2, D2O-O2, D2O-CH4, ND3-D2, ND3-O2 e ND3-CH4. As curvas de energia potenciais foram obtidas a partir da forma analítica Improved Lennard-Jones (ILJ). De posse desta forma analítica as energias rovibracionais e as constantes espectroscópicas foram obtidas através de duas abordagens distintas. A primeira combina as energias obtidas via solução da Equação de Schrödinger nuclear com uma equação espectroscópica. Na segunda aplica-se o método de Dunham. As constantes espectroscópicas obtidas pelas duas metodologias estão em excelente acordo.

 

 

References

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Published

2020-12-04

How to Cite

Oliveira, R. M. de, Filho, S. C., do Amaral Ferreira, F. de A. P. da S., Martins, J. da S. C., Braga, J. dos S., & Sousa, F. D. R. B. de. (2020). Dinâmica e Espectroscopia dos Complexos de van der Waals D2O-D2, D2O-N2, D2O-9O2, D2O-CH4, ND3-D2,ND3-O2 e ND3-CH4 / Dynamics and Spectroscopy of van der Waals complexes D2O-D2, D2O-N2, D2O-O2, D2O-CH4, ND3-D2, ND3-O2 and ND3-CH4. Brazilian Journal of Development, 6(12), 94455–94464. https://doi.org/10.34117/bjdv6n12-057

Issue

Section

Original Papers