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Agustí Lledó

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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.

DOI: 10.1021/acs.orglett.9b02032

Beta_and_Gamma_NLO_sets DOI: 10.19061/iochem-bd-4-45

No other publication derived

Beta-_and_Gamma-NLO_sets DOI: 10.19061/iochem-bd-4-44

No other publication derived

Betti_Cavitand DOI: 10.19061/iochem-bd-4-48

No other publication derived

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

C60ACET

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.

DOI: 10.1002/chem.201702494

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.

DOI: 10.1002/chem.201802298

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.

DOI: 10.1021/acs.joc.9b00921

Calix5arene_Cavitand

No other publication derived

ConfiMet_MSCA-IF-2020

No other publication derived

Conformers DOI: 10.19061/iochem-bd-4-26

No other publication derived

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.

DOI: 10.1002/anie.202106289

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

No other publication derived

Flexible_Cavitand

This dataset derived results are published in:

Manuscript title: A flexible self-folding receptor for coronene

DOI: 10.1039/C9SC03158H

Gaussian

No other publication derived

Gaussian2019

No other publication derived

Masked_nitrene DOI: 10.19061/iochem-bd-4-29

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

nπ_states_of_heteroaromatics DOI: 10.19061/iochem-bd-4-50

Computational analysis of nπ* excited states of (4n+2)π-electron heteroaromatic compounds

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.

DOI: 10.1021/acscatal.1c04247

OKIE DOI: 10.19061/iochem-bd-4-36

No other publication derived

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.

DOI: 10.1002/adsc.202100934

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.

DOI: 10.1021/acs.joc.2c00065

XB_dye-perfluorohaloarene_Gas DOI: 10.19061/iochem-bd-4-39

No other publication derived

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