| Texto completo | |
| Autor(es): |
Andreazza, Carmen Maria
[1]
;
de Almeida, Amaury Augusto
[2]
;
Costa, Gustavo Juliani
[3]
;
Borin, Antonio Carlos
[3]
Número total de Autores: 4
|
| Afiliação do(s) autor(es): | [1] Univ Estadual Paulista, IGCE, DEMAC, Av 24A 1515, BR-13506700 Rio Claro, SP - Brazil
[2] Univ Sao Paulo, Dept Astron, IAG, Rua Matao 1226, BR-05508090 Sao Paulo, SP - Brazil
[3] Univ Sao Paulo, Dept Fundamental Chem, Inst Chem, Ave Prof Lineu Prestes 748, BR-05508000 Sao Paulo, SP - Brazil
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | THEORETICAL CHEMISTRY ACCOUNTS; v. 139, n. 6 MAY 30 2020. |
| Citações Web of Science: | 0 |
| Resumo | |
Thermal rate constants for the formation of PCl radical via radiative association have been estimated from potential energy curves and dipole moments calculated by accurate ab initio methods. The formation of PCl through radiative association of P(4S) Cl(P-2) atoms occurs mainly through the formation of a quasi-molecule in the A(3) Pi state, which decays by an allowed dipole transition to the ground X-3 Sigma(-) state. The computed rate constant can be represented over the 300-5000 K temperature range in the form k(T) = 1.95 x 10(-20)(T/300)0.605exp(-1690/T) cm(3) s(-1) and over the 5000-14,000 K temperature range by the relation k(T) = 8.53 x 10(-22)(T/300)(1.595)exp(-2.5/T) cm(3) s(-1), where T is in K. (AU) | |
| Processo FAPESP: | 18/19454-5 - Estrutura e Fotofísica de Bases Nucleicas Fluorescentes e Pares de Bases Mediados por Metais de Transição |
| Beneficiário: | Antonio Carlos Borin |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |