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Agustí Lledó
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1,5-bisallenes_and_alkynes_2+2+2 DOI: 10.19061/iochem-bd-4-46
This dataset derived results are published in:
Manuscript title: Rh(I) Complexes with Hemilabile Thioether-Functionalized NHC Ligands as Catalysts for [2 + 2 + 2] Cycloaddition of 1,5-Bisallenes and Alkynes
Journal: ACS Catal.
2019_Rh_Bisallene_Ene
A novel methodology to transform bisallenes into a variety of polycyclic derivatives employing rhodium(I) catalysis has been developed. This transformation encompasses an intramolecular Rh-catalyzed cycloisomerization of bisallenes 1 to deliver a reactive cycloheptadiene, which concomitantly undergoes a regioselective [4 + 2] cycloaddition with alkenes. A complete mechanistic study of this transformation has been undertaken including DFT calculations. Overall, the methodology presented here constitutes a new and straightforward entry to polycyclic dihydroazepine and dihydrooxepine derivatives employing catalytic methods.
This dataset derived results are published in:
Manuscript title: A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles
Journal: Org. Lett.
4-tBuPhC5OH DOI: 10.19061/iochem-bd-4-63
This dataset derived results are published in:
Manuscript title: Intermolecular hydrogen bonding in calix[5]arene derived cavitands regulates the molecular recognition of fullerenes
Journal: Chem. Commun.
DOI: 10.1039/D3CC03780K
Allene-yne-nitrile
No other publication derived
Beta-_and_Gamma-NLO_sets DOI: 10.19061/iochem-bd-4-44
No other publication derived
Beta_and_Gamma_NLO_sets DOI: 10.19061/iochem-bd-4-45
No other publication derived
Beta_and_Gamma_NLO_sets_dipole_oriented DOI: 10.19061/iochem-bd-4-53
No other publication derived
Betti_Cavitand DOI: 10.19061/iochem-bd-4-48
This dataset derived results are published in:
Manuscript title: Enantioselective Molecular Recognition in a Flexible Self-Folding Cavitand
Journal: Org. Lett.
BISALLENE
No other publication derived
BISALLENE_FULLERENE DOI: 10.19061/iochem-bd-4-23
No other publication derived
BISALLENE_FULLERENE
No other publication derived
BISALLENE_FULLERENES DOI: 10.19061/iochem-bd-4-24
No other publication derived
C60_ACET
This dataset derived results are published in:
Manuscript title: A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson's Catalyst
Journal: Chem. Eur. J.
C60ACET
No other publication derived
C60_OPENCAGE
This dataset derived results are published in:
Manuscript title: Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study.
Journal: Chem. Eur. J.
C68_DIELS DOI: 10.19061/iochem-bd-4-9
This dataset derived results are published in:
Manuscript title: Regioselectivity in Diels–Alder Cycloadditions of #6094C68 Fullerene with a Triplet Ground State
Journal: J. Org. Chem.
c70_diyne DOI: 10.19061/iochem-bd-4-67
No other publication derived
Calix5arene_Cavitand
No other publication derived
ConfiMet_MSCA-IF-2020
No other publication derived
Conformers DOI: 10.19061/iochem-bd-4-26
This dataset derived results are published in:
Manuscript title: Comprehensive Characterization of the Self-Folding Cavitand Dynamics
Journal: Chem. Eur. J.
CT-FDB DOI: 10.19061/iochem-bd-4-47
No other publication derived
dhi
No other publication derived
dhi_dimers
No other publication derived
dhi_dimers
No other publication derived
dhi_dimers_pub DOI: 10.19061/iochem-bd-4-34
This dataset derived results are published in:
Manuscript title: Stability and Optical Absorption of a ComprehensiveVirtual Library ofMinimal Eumelanin Oligomer Models
Journal: Angew. Chem. Int. Ed.
Double_Aromaticity DOI: 10.19061/iochem-bd-4-43
This dataset derived results are published in:
Manuscript title: In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives
Journal: J. Phys. Org. Chem.
DOI: 10.1002/poc.4447
Ferryl_shift DOI: 10.19061/iochem-bd-4-41
This dataset derived results are published in:
Manuscript title: Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity
Journal: Angew. Chem. Int. Ed.
Flexible_Cavitand
This dataset derived results are published in:
Manuscript title: A flexible self-folding receptor for coronene
Journal: Chem. Sci.
DOI: 10.1039/C9SC03158H
Gaussian
No other publication derived
Gaussian2019
No other publication derived
hbtp_ox
No other publication derived
IRS-DA DOI: 10.19061/iochem-bd-4-62
No other publication derived
IRS-DA_XB DOI: 10.19061/iochem-bd-4-61
No other publication derived
Masked_nitrene DOI: 10.19061/iochem-bd-4-29
No other publication derived
Mercury_chelate_complexes DOI: 10.19061/iochem-bd-4-54
No other publication derived
Mn DOI: 10.19061/iochem-bd-4-42
This dataset derived results are published in:
Manuscript title: Carboxylic Acid Directed γ-Lactonization of Unactivated Primary C–H Bonds Catalyzed by Mn Complexes: Application to Stereoselective Natural Product Diversification
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.2c08620
ND_2020
No other publication derived
Ni_fluoroethoxylation
No other publication derived
nitrile-yne-allene DOI: 10.19061/iochem-bd-4-64
No other publication derived
nπ*_states_of_heteroaromatics DOI: 10.19061/iochem-bd-4-51
No other publication derived
OEEF_catalysis DOI: 10.19061/iochem-bd-4-31
This dataset derived results are published in:
Manuscript title: Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields
Journal: ACS Catal.
OKIE DOI: 10.19061/iochem-bd-4-36
No other publication derived
PKR DOI: 10.19061/iochem-bd-4-66
This dataset derived results are published in:
Manuscript title: The Intermolecular Pauson-Khand Reaction: Applications, Challenges and Opportunities
Journal: Adv. Synth. Catal.
protected_IQ_general_paper
No other publication derived
protected_IQ_general_paper
No other publication derived
protected_IQ-Me_general_paper DOI: 10.19061/iochem-bd-4-49
No other publication derived
Reaction_Mechanism DOI: 10.19061/iochem-bd-4-30
This dataset derived results are published in:
Manuscript title: A Rh(I)-Catalyzed Cascade Cyclization of 1,5-Bisallenes and Alkynes for the Formation of cis-3,4-Arylvinyl Pyrrolidines and Cyclopentanes
Journal: Adv. Synth. Catal.
REBEK
No other publication derived
Self-folding_Cavitand DOI: 10.19061/iochem-bd-4-40
No other publication derived
Stepwise_vs_concerted_Diels-Alder DOI: 10.19061/iochem-bd-4-37
This dataset derived results are published in:
Manuscript title: Highly Selective Synthesis of Seven-Membered Azaspiro Compounds by a Rh(I)-Catalyzed Cycloisomerization/Diels–Alder Cascade of 1,5-Bisallenes
Journal: J. Org. Chem.
(SUB)PHTHALOCYANINE_AROMATICITY DOI: 10.19061/iochem-bd-4-71
No other publication derived
Titanium_PDA DOI: 10.19061/iochem-bd-4-52
No other publication derived
XB_dye-perfluorohaloarene_Gas DOI: 10.19061/iochem-bd-4-39
No other publication derived
