Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Juan F. Van der Maelen"'
Autor:
Juan F. Van der Maelen, Javier Ruiz
Publikováno v:
Materials, Vol 15, Iss 2, p 491 (2022)
DFT theoretical calculations for the Ag2O-induced isomerization process of diaminocarbenes to formamidines, coordinated to Mn(I), have been carried out. The reaction mechanism found involves metalation of an N-H residue of the carbene ligand by the c
Externí odkaz:
https://doaj.org/article/5cd430ee48ce456bbfd7c0f17591412f
Publikováno v:
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 76:802-814
The synthesis and X-ray structure determination of the [Mn(CO)4{(C6H5)2P-S-C(Br2)-P(C6H5)2}]Br complex (1) are described. The C—Br...Br dihalogen bond present in1has been characterized by means of topological studies of the electron density. Both t
Autor:
Juan F, Van der Maelen, Javier, Ruiz
Publikováno v:
Materials
DFT theoretical calculations for the Ag2O-induced isomerization process of diaminocarbenes to formamidines, coordinated to Mn(I), have been carried out. The reaction mechanism found involves metalation of an N-H residue of the carbene ligand by the c
Publikováno v:
Acta crystallographica Section B, Structural science, crystal engineering and materials. 76(Pt 5)
The synthesis and X-ray structure determination of the [Mn(CO)
Autor:
Juan F. Van der Maelen
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Digital.CSIC. Repositorio Institucional del CSIC
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Digital.CSIC. Repositorio Institucional del CSIC
The Comment by Holzmann et al. does not properly reflect the conclusions of the original article, as shown in the current response. New calculations on the title compounds, as well as on M(CO)2 (M = Ca, Sr, Ba) complexes with both D∞h and C2v symme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da9f1b71c9254525c40430273a252e00
http://hdl.handle.net/10651/58872
http://hdl.handle.net/10651/58872
Autor:
Juan F. Van der Maelen
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Digital.CSIC. Repositorio Institucional del CSIC
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Digital.CSIC. Repositorio Institucional del CSIC
The quantum theory of atoms in molecules (QTAIM) has been applied to the recently synthesized alkaline-earth cubic Oh-symmetric complexes Ca(CO)8 (1), Sr(CO)8 (2), and Ba(CO)8 (3). Theoretical calculations reveal that M–CO interactions in these com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43a8106185d80fd685826574c18c88b2
http://hdl.handle.net/10651/55477
http://hdl.handle.net/10651/55477
Publikováno v:
Organometallics. 36:1035-1041
DFT theoretical calculations for the base-induced transmetalation process of protic N-heterocyclic carbenes of imidazol-2-ylidene type from Mn(I) to Au(I) have been carried out. The reaction mechanism found involves the formation of key reaction inte
Autor:
Javier Ruiz, María A. Mateo, Juan F. Van der Maelen, Daniel Sol, Marilín Vivanco, Lucía García
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
A subtle change in the substituents at the nitrogen atoms in the N,N′-diarylformamidine complexes of formula fac-[Mn(RN═C(H)NHR)(bipy)(CO)3]+ (1a, R = phenyl; 1b, R = 4-dimethylaminophenyl) produces, upon deprotonation, either the monodentate for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd90cc5bb3b1fcb8b0ab29ee1486be8d
http://hdl.handle.net/10261/210828
http://hdl.handle.net/10261/210828
Autor:
Enrique Pérez-Carreño, Juan F. Van der Maelen, Pablo García-Álvarez, Alan R. Kennedy, Javier A. Cabeza, Javier Brugos
Publikováno v:
Inorganic Chemistry. 55:8905-8912
The complexes [M(κ(3)-N,H,H-mapyBH3)(cod)] (M = Rh, Ir; HmapyBH3 = 2-(methylamino)pyridine-borane; cod = 1,5-cyclooctadiene), which contain a novel anionic tripod ligand coordinated to the metal atom through the amido N atom and through two H atoms
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
Scipedia SL
Digital.CSIC. Repositorio Institucional del CSIC
instname
RUO. Repositorio Institucional de la Universidad de Oviedo
Scipedia SL
Digital.CSIC. Repositorio Institucional del CSIC
instname
Theoretical electron density (QTAIM) studies in the gas-phase have shown that the attachment of the BH3 group to the metal atom in complexes [Mn(κ3N,H,H-iPr2bzamBH3)(CO)3] (1) and [Ru(η5-C5Me5)(κ3N,H,H-iPr2bzamBH3)] (2) (HiPr2bzamBH3 = N-trihydrid