Dataset of Synthesis, Structural Characterization and Reactivity of Macrocyclic Cyclo[2]malonates

Giuri, Demetra ; Ruffoli, Samuele (2026) Dataset of Synthesis, Structural Characterization and Reactivity of Macrocyclic Cyclo[2]malonates. University of Bologna. DOI 10.6092/unibo/amsacta/8989. [Dataset]
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Abstract

The dataset contains the NMR data as .fid files, the FT-IR as Origin files and HPLC-MS as .D files used to characterize a small library of cyclo[2]malonates. The optimization of reaction conditions enables selective access to dimeric macrocycles. While α-proton acidity is retained across the series, vanadyl (VO²⁺) binding is strongly governed by cavity size and conformational preorganization, suggesting a structure–function relationship.

Abstract
Document type
Dataset
Creators
CreatorsORCIDAffiliationROR
Giuri, Demetra0000-0001-5923-7836University of Bologna01111rn36
Ruffoli, SamueleUniversity of Bologna01111rn36
Keywords
macrocycles, NMR, HPLC-MS, FT-IR
Subjects
DOI
Contributors
Name
ORCID
Type
Affiliation
ROR
Vitale, Andrea
Data collector
University of Bologna
D'Addazio, Kevin
Data collector
University of Bologna
Pispero, Alessandro
Data collector
University of Bologna
Sartore, Daniele
Data collector
University of Bologna
Giuri, Demetra
Contact person
University of Bologna
Tomasini, Claudia
Project leader
University of Bologna
D'Agostino, Simone
Data Curator
University of Bologna
Deposit date
09 Jun 2026 09:16
Last modified
09 Jun 2026 14:14
Related identifier
Related identifier type
Relation type
Code
DOI
this upload is supplement to
Project name
CASTLE - Chirality and spin selectivity in electron transfer processes: from quantum detection to quantum enabled technologies
Funding program
EC - HE
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