Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding (2018)
- Authors:
- Autor USP: DUCATI, LUCAS COLUCCI - IQ
- Unidade: IQ
- DOI: 10.1039/c8cc05578e
- Subjects: NITRATOS; CLORO; PLUTÔNIO
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: Chemical Communication
- ISSN: Four new [Pu(iv)Cl-n(NO3)(6-n)](2-) (n = 0, 2, 3) and [Pu(vi)O2Cl3(NO3)](2-) containing materials were crystallized from acidic, aqueous media and structurally characterized. The anions are assembled via hydrogen and halogen bonding motifs, which are rationalized computationally. The Pu-NO3 and -Cl bonds were probed using QTAIM and NLMO analyses and found to be polar and largely ionic
- Volume/Número/Paginação/Ano: v. 54, n. 85, p. 12014-12017, 2018
- Este periódico é de assinatura
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: green
-
ABNT
SURBELLA, Robert G; DUCATI, Lucas Colucci; AUTSCHBACH, Jochen; et al. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding. Chemical Communication, Cambridge, v. 54, n. 85, p. 12014-12017, 2018. Disponível em: < http://dx.doi.org/10.1039/c8cc05578e > DOI: 10.1039/c8cc05578e. -
APA
Surbella, R. G., Ducati, L. C., Autschbach, J., Pellegrini, K. L., McNamara, B. K., Schwantes, J. M., & Cahill, C. L. (2018). Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding. Chemical Communication, 54( 85), 12014-12017. doi:10.1039/c8cc05578e -
NLM
Surbella RG, Ducati LC, Autschbach J, Pellegrini KL, McNamara BK, Schwantes JM, Cahill CL. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding [Internet]. Chemical Communication. 2018 ; 54( 85): 12014-12017.Available from: http://dx.doi.org/10.1039/c8cc05578e -
Vancouver
Surbella RG, Ducati LC, Autschbach J, Pellegrini KL, McNamara BK, Schwantes JM, Cahill CL. Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding [Internet]. Chemical Communication. 2018 ; 54( 85): 12014-12017.Available from: http://dx.doi.org/10.1039/c8cc05578e - Transmission mechanisms of the fermi-contact term of spin-spin couplings
- NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling
- Transuranic hybrid materials: crystallographic and computational metrics of supramolecular assembly
- A new Pu(III) coordination geometry in ('C IND. 5''H IND. 5'NBr)'IND. 2'['PuCl IND. 3'('H IND. 2'O)'IND. 5']·2Cl·'2H IND. 2'O as obtained via supramolecular assembly in aqueous, high chloride media
- Computational insight to ['Et IND.2''N''H IND. 2']['H''S''O IND. 4'] ionic liquid catalyzed multisubstituted imidazole synthesis
- Estudo do isomerismo rotacional do captopril
- NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis
- Density functional calibration for indirect spin-spin coupling constant calculations
- Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions
- A theoretical and experimental study on conformational equilibrium of L-proline methyl esther
Informações sobre o DOI: 10.1039/c8cc05578e (Fonte: oaDOI API)
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas