Yannick Roselló
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View article: Actinide-lanthanide single electron metal-metal bond formed in mixed-valence di-metallofullerenes
Actinide-lanthanide single electron metal-metal bond formed in mixed-valence di-metallofullerenes Open
Understanding metal-metal bonding involving f-block elements has been a challenging goal in chemistry. Here we report a series of mixed-valence di-metallofullerenes, ThDy@C 2 n (2 n = 72, 76, 78, and 80) and ThY@C 2 n (2 n = 72 and 78), wh…
View article: New halogen-bonded cocrystals of nucleobases
New halogen-bonded cocrystals of nucleobases Open
Non-covalent interactions are crucial in regulating how molecules interact with one another [1].Hydrogen bonding (HB) is often the predominant interaction in supramolecular chemistry and crystal engineering.However, in the last years, σ-ho…
View article: CCDC 2238278: Experimental Crystal Structure Determination
CCDC 2238278: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: <scp>ScY</scp>@<i>C</i><sub>3<i>v</i></sub>(8)‐<scp>C<sub>82</sub></scp>:<scp>Metal‐Metal</scp>σ<sup>2</sup>Bond in Mixed<scp>Rare‐Earth</scp>Di‐metallofullerenes<sup>†</sup>
<span>ScY</span>@<i>C</i><sub>3<i>v</i></sub>(8)‐<span>C<sub>82</sub></span>:<span>Metal‐Metal</span>σ<sup>2</sup>Bond in Mixed<span>Rare‐Earth</span>Di‐metallofullerenes<sup>†</sup> Open
Comprehensive Summary The experimental investigation of rare‐earth metal‐metal bonds remains a challenge in the study of chemical bonds. Herein, we report the synthesis and characterization of a novel heteronuclear di‐metallofullerene, ScY…
View article: Are U–U Bonds Inside Fullerenes Really Unwilling Bonds?
Are U–U Bonds Inside Fullerenes Really Unwilling Bonds? Open
Previous characterizations of diactinide endohedral metallofullerenes (EMFs) Th2@C80 and U2@C80 have shown that although the two Th3+ ions form a strong covalent bond within the carbon cage, the interaction between the U3+ ions is weaker a…
View article: CCDC 2101096: Experimental Crystal Structure Determination
CCDC 2101096: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2101094: Experimental Crystal Structure Determination
CCDC 2101094: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2101095: Experimental Crystal Structure Determination
CCDC 2101095: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Uracil Derivatives for Halogen-Bonded Cocrystals
Uracil Derivatives for Halogen-Bonded Cocrystals Open
Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivative…
View article: CCDC 2067654: Experimental Crystal Structure Determination
CCDC 2067654: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2067651: Experimental Crystal Structure Determination
CCDC 2067651: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2067653: Experimental Crystal Structure Determination
CCDC 2067653: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2067652: Experimental Crystal Structure Determination
CCDC 2067652: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: 1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies
1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies Open
In this work, we describe the successful preparation of a series of cocrystals of the modified nucleobase 1-ethyluracil with different coformers in a 1:1 or 2:1 (nucleobase:coformer) ratio including urea (URE) or some compounds containing …
View article: U<sub>2</sub>N@<i>I</i><sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(<scp>iv</scp>)NU(<scp>v</scp>) cluster
U<sub>2</sub>N@<i>I</i><sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(<span>iv</span>)NU(<span>v</span>) cluster Open
A novel actinide cluster, UNU, is stabilized inside a C 80 fullerene cage. The U( iv )NU( v ) cluster features two UN bonds with uneven bond distances of 2.058(3) Å and 1.943(3) Å, leading to an unsymmetrical structure.
View article: Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study
Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study Open
In this work, we report the cocrystallization of N9-ethyladenine with 1,2,4,5-tetrafluoro-3,6-diiodobenzene (TFDIB), a classical XB donor. As far as our knowledge extends, this is the first cocrystal reported to date where an adenine deriv…
View article: CCDC 1903339: Experimental Crystal Structure Determination
CCDC 1903339: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …