ChemInform Abstract: Ab initio Characterization of Gaseous P2O2.

1. LOPEZ, X.
2. SARASOLA, C.
3. LECEA, B.
4. LARGO, A.
5. BARRIENTOS, C.
6. UGALDE, J. M.

Exportar

Exportar

×

MLA

modern-language-association

APA

apa

Chicago

chicago-fullnote-bibliography

Harvard

harvard-cite-them-right

Vancouver

vancouver-author-date

---

RIS BibTex

Exportar

×

El documento no se puede exportar porque pertenece a otro portal.

Texto completo

lock_openTexto completo externo lock_openTexto completo externo

DOI: 10.1002/CHIN.199329002 GOOGLE SCHOLAR lock_openAcceso abierto editor

Otras publicaciones en: ChemInform

Resumen

By ab initio calculations at the HF/6-31G* and TCSCF/6-31G* levels of theory a planar cyclic isomer of P2O2 of D2h symmetry is found to be a stationary structure at 5.17 kcal/mol lower energy than the lowest energy C2v isomer at the HF/6-31G* level of theory. The singlet D2h symmetry isomer has no central P-P bond. This species has a large biradical character.

Referencias bibliográficas

• LOPEZ, (1993), J. Phys. Chem., 97, pp. 4078, 10.1021/j100118a024