Ana Vanegas

[Ana Vanegas @Ana_vanegasc]

Hi! @LatinXChem, I present my work “Comparative analysis of the reactivity of cocrystalline intermediates in C-H bond activation reactions mediated by rhodium and iridium” at #LatinXChem24 #LatinXChemComp #Comp085
#DFT #cocryst #Reactivity
Expecting your questions and comments.

[Albeiro Restrepo @AlbeiroARC28]

Beautiful art work for this nice paper https://t.co/U33Ca62U1M featured in the inside cover of issue 7, Volume 16 of @ChemicalScience. Great collaboration with @JhoanLondoo4 @SGomezChem @heidyql @felipefantuzzi @FCENUdeA

[Albeiro Restrepo @AlbeiroARC28]

Why are highly unsaturated molecules so abundant in the ISM of a universe full of hydrogen? Find out in this beautiful paper https://t.co/U33Ca62U1M just accepted in @ChemicalScience. Great teamwork with @JhoanLondoo4 @SGomezChem @heidyql @felipefantuzzi

[Ana Vanegas @Ana_vanegasc]

@RS_Chemist @LatinXChem If you have any further questions or suggestions to expand my work, I'm attentive, Thanks!

[Ana Vanegas @Ana_vanegasc]

Hi! @LatinXChem, I present my work “Comparative analysis of the reactivity of cocrystalline intermediates in C-H bond activation reactions mediated by rhodium and iridium” at #LatinXChem24 #LatinXChemComp #Comp085
#DFT #cocryst #Reactivity
Expecting your questions and comments.

[Ana Vanegas @Ana_vanegasc]

@RS_Chemist @LatinXChem For Ir, the density is mainly distributed in BHQ, indicating a less electrophilic nature compared to Rh. Regarding the condensed Fukui, in both, the metal centers exhibit both electrophilic and nucleophilic, with a stronger emphasis on electrophilic behavior in Rh and in the β

[Ana Vanegas @Ana_vanegasc]

@RS_Chemist @LatinXChem We calculated Fukui indices, dual Fukui, and condensed Fukui functions using the Hirshfeld charge scheme (Tables 1 and 2). For both α and β, the f(+) shows a difference in electron density between Rh and Ir.

[Ana Vanegas @Ana_vanegasc]

@RS_Chemist @LatinXChem Additionally, the HOMO for both clusters (Rh and Ir) in the β phase is distributed over the non-bridging chlorines, increasing their nucleophilicity (Fig. 3, FMO).

[Ana Vanegas @Ana_vanegasc]

@RS_Chemist @LatinXChem Hi Rocio! Thanks for your question.
In the β phase, the LUMO of the Rh are concentrated in the metal dimer and BHQ, showing electrophilic behavior. In contrast, in the α, the LUMO is strictly localized in BHQ, reducing its reactivity.

[DANIELA ANDREA CHAPARRO CÁRDENAS @CardenasDa11606]

Hi @LatinXChem , this is my work "Hybrids based on benzofuran-biphenyl nuclei: Design, synthesis and pharmakokinetic properties" at #LatinXChem24 #LatinXChemOrg #Org094 #Synthesis #OrganicChemistry #MedicinalChemistry #Cancer #Hybrids

[PEDRO ALEJANDRO MARTINEZ PÉREZ @Pedro_A_Chem]

Hi @LatinXChem, presenting our work “Regio selective synthesis of aryl genistein derivatives via the Chan-Evans-Lam reaction”at #LatinXChem24 #LatinXChemOrg #Org084 #NaturalProducts #OrganicChemistry #OrganometallicChemistry

[Alejandro Marin @themusicpimp]

Es real

[CPQCOL @cpqcol]

En el #DíaDelQuímico los invitamos a que sigamos descubriendo mundos juntos, a explorar incondicionalmente, indagar sobre los misterios de la naturaleza y a probar nuestras hipótesis, nunca finales, siempre en búsqueda de la verdad.
Feliz día a todo el gremio químico 👨🏽‍🔬👩🏽‍🔬🎉