Synthesis and characterization of a palladium(0) complex with cyclophosphazene bearing two diphenylphosphine ligands and application in Suzuki-Miyaura cross-coupling

Autor(es)

e Silva, Maria das G. de O. ^{[1, 2]} ; Galuppo, Carolina ^[1] ; Tudisco, Barbara C. ^[1] ; de Oliveira Junior, Arnaldo G. ^[1] ; Barrionuevo, Manoel V. F. ^[1] ; Abbehausen, Camilla ^[1] ; Buffon, Regina ^[1]

Afiliação do(s) autor(es)

^[1] Univ Campinas UNICAMP, Inst Chem, POB 6154, BR-13083970 Campinas, SP - Brazil

^[2] IFMA, Fed Inst Educ Sci & Technol Maranhao, BR-65700000 Bacabal, MA - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Inorganica Chimica Acta; v. 482, p. 259-267, OCT 1 2018.
• Citações Web of Science: 2

Resumo

This paper describes the synthesis of a cyclophosphazene-based diphenylphosphine ligand and a new Pd(0) complex. Infrared spectroscopy (ATR-IR), ESI+-MS, P-31, H-1 and C-13 NMR, Raman, WD-XRF, ICP-OES and TGA analysis show the coordination of two palladium atoms per unit of cyclophosphazene. A semiempirical calculation method was employed to find the lowest energy structure among the possible ones and Density Functional Theory (DFT) was used to optimize the found structure and obtain its bond angles, dihedral angles, bond lengths, atomic distances, and to calculate the vibrational spectrum (PBE/def2-TZVP(-f)). The new Pd complex showed activity in Suzuki-Miyaura cross-coupling reactions with halobenzenes and phenylboronic acid, tolerating different functional groups. (AU)

• Processo FAPESP: 17/12719-0 - Combate à resitência bacteriana: complexos metálicos e a inibição de metalo-beta-lactamses
• Beneficiário: Camilla Abbehausen
• Modalidade de apoio: Auxílio à Pesquisa - Regular