Portal de Periódicos da CAPES

Artigo Acesso aberto Produção Nacional Revisado por pares

BIBTEX RIS

O uso de cálculos teóricos como ferramenta para a detecção de moléculas no meio interestelar: o caso dos carbenos CnNH (n=1, 3 e 5)

1997; Brazilian Chemical Society; Volume: 20; Issue: 5 Linguagem: Inglês

10.1590/s0100-40421997000500016

1678-7064

João Bosco P. da Silva, Benício B. Neto, Mozart N. Ramos,

Advanced Chemical Physics Studies

THE C n NH (n= 1, 3 and 5) CARBENES.This work reviews some applications of ab initio molecular orbital calculations to the elucidation of structures of interstellar molecules.The case of the C n NH (n=1, 3 and 5 ) carbenes is extensively analyzed and discussed.Theoretical conformational analysis and predicted values for the rotational constants and dipole moments of the singlet state of C 5 NH are reported for the first time and a comparison is performed with results previously obtained for C 3 NH and CNH.