Josefina Perles - Academia.edu (original) (raw)
Books by Josefina Perles
Actas del XII Congreso de la SEHCYT
Papers by Josefina Perles
ChemInform, Jul 19, 2005
Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrotherma... more Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrothermally synthesized, and the crystal structures of the three compounds have been solved by single-crystal X-ray diffraction. The lanthanum and neodymium sulfates show the space group P3(1)21 while the gadolinium compound presents the enantiomer P3(2)21. The three lanthanum, neodymium, and gadolinium sulfates have been tested as heterogeneous redox catalysts in the selective oxidation of sulfides, showing good activities and selectivities. They can be reused without loss of yield or selectivity.
ChemInform, Jul 19, 2005
Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrotherma... more Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrothermally synthesized, and the crystal structures of the three compounds have been solved by single-crystal X-ray diffraction. The lanthanum and neodymium sulfates show the space group P3(1)21 while the gadolinium compound presents the enantiomer P3(2)21. The three lanthanum, neodymium, and gadolinium sulfates have been tested as heterogeneous redox catalysts in the selective oxidation of sulfides, showing good activities and selectivities. They can be reused without loss of yield or selectivity.
Advanced Functional Materials, Jun 5, 2018
Three new star-shaped hole-transporting materials (HTMs) incorporating benzotripyrrole, benzotrif... more Three new star-shaped hole-transporting materials (HTMs) incorporating benzotripyrrole, benzotrifuran, and benzotriselenophene central cores endowed with three-armed triphenylamine moieties (BTP-1, BTF-1, and BTSe-1, respectively) are designed, synthesized, and implemented in perovskite solar cells (PSCs). The impact that the heteroatom-containing central scaffold has on the electrochemical and photophysical properties, as well as on the photovoltaic performance, is systematically investigated and compared with their sulfur-rich analogue (BTT-3). The new HTMs exhibit suitable highest-occupied molecular orbitals (HOMO) levels regarding the valence band of the perovskite, which ensure efficient hole extraction at the perovskite/HTM interface. The molecular structures of BTF-1, BTT-3, and BTSe-1 are fully elucidated by single-crystal X-ray crystallography as toluene solvates. The optimized (FAPbI 3) 0.85 (MAPbBr 3) 0.15based perovskite solar cells employing the tailor-made, chalcogenide-based HTMs exhibit remarkable power conversion efficiencies up to 18.5%, which are comparable to the devices based on the benchmark spiro-OMeTAD. PSCs with BTP-1 exhibit a more limited power conversion efficiency of 15.5%, with noticeable hysteresis. This systematic study indicates that chalcogenide-based derivatives are promising HTM candidates to compete efficiently with spiro-OMeTAD.
Catalysis Today, Jun 1, 2023
Crystal Growth & Design, Jun 29, 2020
Inorganica Chimica Acta, Mar 1, 2019
The {[Pd(µ-SC 6 F 5)(µ-dppm)Pd](µ-SC 6 F 5)} 4 (dppm = methanediylbis(diphenylphosphane)) (Pd8) m... more The {[Pd(µ-SC 6 F 5)(µ-dppm)Pd](µ-SC 6 F 5)} 4 (dppm = methanediylbis(diphenylphosphane)) (Pd8) metallacrown traps Ag(I) cations giving {Ag[Pd(µ 3-SC 6 F 5)(µ-dppm)Pd] 4 (µ-SC 6 F 5) 4 }(X) (X = SO 3 CF 3 − (AgPd8a), SbF 6 − (AgPd8b) and ClO 4 − (AgPd8c)) and {Ag[Pd(µ 3-SC 6 F 5)(µ-dppm)Pd] 4 (µ-SC 6 F 5) 4 } 2 [Pt(C 6 F 5) 4 ] (AgPd8d). The insertion of silver increases significantly the stability of the cluster that is stable in solution even in the presence of light, because of the macrocyclic effect.
Chemical Communications, 2015
We present a structurally flexible copper-iodide-pyridine-based coordination polymer showing dras... more We present a structurally flexible copper-iodide-pyridine-based coordination polymer showing drastic variations in its electrical conductivity driven by temperature and sorption of acetic acid molecules. The dramatic effect on the electrical conductivity enables the fabrication of a simple and robust device for gas detection. X-ray diffraction studies and DFT calculations allow the rationalisation of these observations.
Journal of the American Chemical Society, Dec 20, 2019
Two novel homo and hetero three-dimensional nanographenes-NG1 and NG2featuring a cyclooctatetraen... more Two novel homo and hetero three-dimensional nanographenes-NG1 and NG2featuring a cyclooctatetraene core are designed, synthetized, and characterized. A concise and efficient bottom-up methodology was employed during which 24 new carbon-carbon bonds were formed. By means of a Scholl reaction nanographenes with 53 fused rings are realized, which exhibited good solubility in common organic solvents. The resulting saddle-like structures of NG1 and NG2 are electron-rich and show good chemical and electrochemical stability. Their molecular structures are fully elucidated by single-crystal X-ray crystallography. From their crystal structure analysis is concluded that both nanographenes are chiral and crystallize as a racemic mixture. Our work was rounded-off by excited state investigations such as electron and energy transfer with electron-acceptors and-donors.
Angewandte Chemie, Jan 3, 2023
Dyes and Pigments, May 1, 2023
Inorganic Chemistry, Oct 26, 2015
Research Square (Research Square), Jul 27, 2023
The introduction and precise control of stereogenic elements in chemical structures is always a c... more The introduction and precise control of stereogenic elements in chemical structures is always a challenging and highly demanding task. The vast majority of available asymmetric methods require the presence of a heteroatom in the starting substrates acting as an anchor point for the successful transfer of chiral information. This eventually emerges, typically, in the formation of a new stereogenic centre while the heteroatom remains in the product. For this reason, compounds constituted only by carbon atoms, such as optically active molecular nanographenes have, so far, been obtained as racemates followed by chiral chromatographic separations. Here, we report an enantioselective strategy which uses three pivotal stereocontrolled key synthetic steps to introduce and extend three different types of stereogenic elements, namely central, axial and helicoidal chirality, into a polycyclic aromatic C sp2-based structure. The resulting helicity of six ortho-fused rings embedded in the triindane-based nanographene ensures stereochemical stability and good chiroptic activity.
Dalton Transactions, 2023
A convergent growth approach to ferrocenyl-rich dendritic macromolecules based on carbosilane and... more A convergent growth approach to ferrocenyl-rich dendritic macromolecules based on carbosilane and siloxane skeletons, which act as electrode modifiers.
Angewandte Chemie, Jan 3, 2023
Chemistry of Materials, Apr 16, 2005
Chemical Communications, 2017
Three and six ferrocenyl subunits have been attached to the periphery of subphthalocyanines (SubP... more Three and six ferrocenyl subunits have been attached to the periphery of subphthalocyanines (SubPcs). Unlike axially coordinated ferrocenes, peripherally-bonded ferrocenes have an impact on the electronic features of SubPcs, which show a 44 to 70 nm red-shift of their Q-bands. The unusually deep and narrow ferrocenyl-SubPc is able to host C60, giving rise to atypical SubPc•C60 cocrystallates, through a combination of concave-convex and convex-convex π-π interactions.
![Research paper thumbnail of Photochemical site-selective synthesis of [70]methanofullerenes](https://attachments.academia-assets.com/108396249/thumbnails/1.jpg)
](Chemical Communications, 2016
Methanofullerenes such as the Q5 well-known [70]PCBM are commonly synthesized under harsh conditi... more Methanofullerenes such as the Q5 well-known [70]PCBM are commonly synthesized under harsh conditions to obtain the product as a mixture of site-isomers (namely a, b and minor g) due to the D 5h symmetry of the C 70 cage. Please check this proof carefully. Our staff will not read it in detail after you have returned it. Translation errors between word-processor files and typesetting systems can occur so the whole proof needs to be read. Please pay particular attention to: tabulated material; equations; numerical data; figures and graphics; and references. If you have not already indicated the corresponding author(s) please mark their name(s) with an asterisk. Please e-mail a list of corrections or the PDF with electronic notes attached-do not change the text within the PDF file or send a revised manuscript. Corrections at this stage should be minor and not involve extensive changes. All corrections must be sent at the same time. Please bear in mind that minor layout improvements, e.g. in line breaking, table widths and graphic placement, are routinely applied to the final version. Please note that, in the typefaces we use, an italic vee looks like this: n, and a Greek nu looks like this: n. We will publish articles on the web as soon as possible after receiving your corrections; no late corrections will be made.
Journal of the American Chemical Society, Jul 20, 2021
A benchtop solution-phase synthesis of molecular nanographenes composed of two orthogonal dibenzo... more A benchtop solution-phase synthesis of molecular nanographenes composed of two orthogonal dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene (DBPP) moieties covalently connected through a tetrafluorobenzene ring is described. The helical arrangement of these three covalently linked molecular fragments leads to the existence of a chiral axis which gives rise to a racemic mixture, even with the molecular moieties being symmetrically substituted. X-ray diffraction studies show that both enantiomers cocrystallize in a single crystal, and the racemic mixture can be resolved by chiral HPLC. Asymmetric substitution in DBPP moieties affords a pair of diastereoisomers whose rotational isomerization has been studied by 1H NMR. Additionally, the electrochemical and photophysical properties derived from these new molecular nanographenes reveal an electroactive character and a significant fluorescent behavior.
Royal Society Open Science, Feb 1, 2018
This article has been edited by the Royal Society of Chemistry, including the commissioning, peer... more This article has been edited by the Royal Society of Chemistry, including the commissioning, peer review process and editorial aspects up to the point of acceptance.
ChemInform, Jul 19, 2005
Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrotherma... more Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrothermally synthesized, and the crystal structures of the three compounds have been solved by single-crystal X-ray diffraction. The lanthanum and neodymium sulfates show the space group P3(1)21 while the gadolinium compound presents the enantiomer P3(2)21. The three lanthanum, neodymium, and gadolinium sulfates have been tested as heterogeneous redox catalysts in the selective oxidation of sulfides, showing good activities and selectivities. They can be reused without loss of yield or selectivity.
ChemInform, Jul 19, 2005
Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrotherma... more Three rare-earth ternary sulfates NaM(SO4)(2)(H2O)-H-. (M = La, Nd, and Gd) have been hydrothermally synthesized, and the crystal structures of the three compounds have been solved by single-crystal X-ray diffraction. The lanthanum and neodymium sulfates show the space group P3(1)21 while the gadolinium compound presents the enantiomer P3(2)21. The three lanthanum, neodymium, and gadolinium sulfates have been tested as heterogeneous redox catalysts in the selective oxidation of sulfides, showing good activities and selectivities. They can be reused without loss of yield or selectivity.
Advanced Functional Materials, Jun 5, 2018
Three new star-shaped hole-transporting materials (HTMs) incorporating benzotripyrrole, benzotrif... more Three new star-shaped hole-transporting materials (HTMs) incorporating benzotripyrrole, benzotrifuran, and benzotriselenophene central cores endowed with three-armed triphenylamine moieties (BTP-1, BTF-1, and BTSe-1, respectively) are designed, synthesized, and implemented in perovskite solar cells (PSCs). The impact that the heteroatom-containing central scaffold has on the electrochemical and photophysical properties, as well as on the photovoltaic performance, is systematically investigated and compared with their sulfur-rich analogue (BTT-3). The new HTMs exhibit suitable highest-occupied molecular orbitals (HOMO) levels regarding the valence band of the perovskite, which ensure efficient hole extraction at the perovskite/HTM interface. The molecular structures of BTF-1, BTT-3, and BTSe-1 are fully elucidated by single-crystal X-ray crystallography as toluene solvates. The optimized (FAPbI 3) 0.85 (MAPbBr 3) 0.15based perovskite solar cells employing the tailor-made, chalcogenide-based HTMs exhibit remarkable power conversion efficiencies up to 18.5%, which are comparable to the devices based on the benchmark spiro-OMeTAD. PSCs with BTP-1 exhibit a more limited power conversion efficiency of 15.5%, with noticeable hysteresis. This systematic study indicates that chalcogenide-based derivatives are promising HTM candidates to compete efficiently with spiro-OMeTAD.
Catalysis Today, Jun 1, 2023
Crystal Growth & Design, Jun 29, 2020
Inorganica Chimica Acta, Mar 1, 2019
The {[Pd(µ-SC 6 F 5)(µ-dppm)Pd](µ-SC 6 F 5)} 4 (dppm = methanediylbis(diphenylphosphane)) (Pd8) m... more The {[Pd(µ-SC 6 F 5)(µ-dppm)Pd](µ-SC 6 F 5)} 4 (dppm = methanediylbis(diphenylphosphane)) (Pd8) metallacrown traps Ag(I) cations giving {Ag[Pd(µ 3-SC 6 F 5)(µ-dppm)Pd] 4 (µ-SC 6 F 5) 4 }(X) (X = SO 3 CF 3 − (AgPd8a), SbF 6 − (AgPd8b) and ClO 4 − (AgPd8c)) and {Ag[Pd(µ 3-SC 6 F 5)(µ-dppm)Pd] 4 (µ-SC 6 F 5) 4 } 2 [Pt(C 6 F 5) 4 ] (AgPd8d). The insertion of silver increases significantly the stability of the cluster that is stable in solution even in the presence of light, because of the macrocyclic effect.
Chemical Communications, 2015
We present a structurally flexible copper-iodide-pyridine-based coordination polymer showing dras... more We present a structurally flexible copper-iodide-pyridine-based coordination polymer showing drastic variations in its electrical conductivity driven by temperature and sorption of acetic acid molecules. The dramatic effect on the electrical conductivity enables the fabrication of a simple and robust device for gas detection. X-ray diffraction studies and DFT calculations allow the rationalisation of these observations.
Journal of the American Chemical Society, Dec 20, 2019
Two novel homo and hetero three-dimensional nanographenes-NG1 and NG2featuring a cyclooctatetraen... more Two novel homo and hetero three-dimensional nanographenes-NG1 and NG2featuring a cyclooctatetraene core are designed, synthetized, and characterized. A concise and efficient bottom-up methodology was employed during which 24 new carbon-carbon bonds were formed. By means of a Scholl reaction nanographenes with 53 fused rings are realized, which exhibited good solubility in common organic solvents. The resulting saddle-like structures of NG1 and NG2 are electron-rich and show good chemical and electrochemical stability. Their molecular structures are fully elucidated by single-crystal X-ray crystallography. From their crystal structure analysis is concluded that both nanographenes are chiral and crystallize as a racemic mixture. Our work was rounded-off by excited state investigations such as electron and energy transfer with electron-acceptors and-donors.
Angewandte Chemie, Jan 3, 2023
Dyes and Pigments, May 1, 2023
Inorganic Chemistry, Oct 26, 2015
Research Square (Research Square), Jul 27, 2023
The introduction and precise control of stereogenic elements in chemical structures is always a c... more The introduction and precise control of stereogenic elements in chemical structures is always a challenging and highly demanding task. The vast majority of available asymmetric methods require the presence of a heteroatom in the starting substrates acting as an anchor point for the successful transfer of chiral information. This eventually emerges, typically, in the formation of a new stereogenic centre while the heteroatom remains in the product. For this reason, compounds constituted only by carbon atoms, such as optically active molecular nanographenes have, so far, been obtained as racemates followed by chiral chromatographic separations. Here, we report an enantioselective strategy which uses three pivotal stereocontrolled key synthetic steps to introduce and extend three different types of stereogenic elements, namely central, axial and helicoidal chirality, into a polycyclic aromatic C sp2-based structure. The resulting helicity of six ortho-fused rings embedded in the triindane-based nanographene ensures stereochemical stability and good chiroptic activity.
Dalton Transactions, 2023
A convergent growth approach to ferrocenyl-rich dendritic macromolecules based on carbosilane and... more A convergent growth approach to ferrocenyl-rich dendritic macromolecules based on carbosilane and siloxane skeletons, which act as electrode modifiers.
Angewandte Chemie, Jan 3, 2023
Chemistry of Materials, Apr 16, 2005
Chemical Communications, 2017
Three and six ferrocenyl subunits have been attached to the periphery of subphthalocyanines (SubP... more Three and six ferrocenyl subunits have been attached to the periphery of subphthalocyanines (SubPcs). Unlike axially coordinated ferrocenes, peripherally-bonded ferrocenes have an impact on the electronic features of SubPcs, which show a 44 to 70 nm red-shift of their Q-bands. The unusually deep and narrow ferrocenyl-SubPc is able to host C60, giving rise to atypical SubPc•C60 cocrystallates, through a combination of concave-convex and convex-convex π-π interactions.
Chemical Communications, 2016
Methanofullerenes such as the Q5 well-known [70]PCBM are commonly synthesized under harsh conditi... more Methanofullerenes such as the Q5 well-known [70]PCBM are commonly synthesized under harsh conditions to obtain the product as a mixture of site-isomers (namely a, b and minor g) due to the D 5h symmetry of the C 70 cage. Please check this proof carefully. Our staff will not read it in detail after you have returned it. Translation errors between word-processor files and typesetting systems can occur so the whole proof needs to be read. Please pay particular attention to: tabulated material; equations; numerical data; figures and graphics; and references. If you have not already indicated the corresponding author(s) please mark their name(s) with an asterisk. Please e-mail a list of corrections or the PDF with electronic notes attached-do not change the text within the PDF file or send a revised manuscript. Corrections at this stage should be minor and not involve extensive changes. All corrections must be sent at the same time. Please bear in mind that minor layout improvements, e.g. in line breaking, table widths and graphic placement, are routinely applied to the final version. Please note that, in the typefaces we use, an italic vee looks like this: n, and a Greek nu looks like this: n. We will publish articles on the web as soon as possible after receiving your corrections; no late corrections will be made.
Journal of the American Chemical Society, Jul 20, 2021
A benchtop solution-phase synthesis of molecular nanographenes composed of two orthogonal dibenzo... more A benchtop solution-phase synthesis of molecular nanographenes composed of two orthogonal dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene (DBPP) moieties covalently connected through a tetrafluorobenzene ring is described. The helical arrangement of these three covalently linked molecular fragments leads to the existence of a chiral axis which gives rise to a racemic mixture, even with the molecular moieties being symmetrically substituted. X-ray diffraction studies show that both enantiomers cocrystallize in a single crystal, and the racemic mixture can be resolved by chiral HPLC. Asymmetric substitution in DBPP moieties affords a pair of diastereoisomers whose rotational isomerization has been studied by 1H NMR. Additionally, the electrochemical and photophysical properties derived from these new molecular nanographenes reveal an electroactive character and a significant fluorescent behavior.
Royal Society Open Science, Feb 1, 2018
This article has been edited by the Royal Society of Chemistry, including the commissioning, peer... more This article has been edited by the Royal Society of Chemistry, including the commissioning, peer review process and editorial aspects up to the point of acceptance.