Related Experiment Video
Updated: Jun 19, 2026

Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study
Fabio Ramondo1, Luana Tanzi, Marco Campetella
1Dipartimento di Chimica, Ingegneria Chimica e Materiali, Università dell'Aquila, I-67100 L'Aquila, Italy. fabio.ramondo@univaq.it
Abstract:
The local structure of the hydration of pyrazole has been analysed through static and dynamical microsolvation models described by quantum mechanical methods. Then, a reliable classical force field of pyrazole has been obtained on the basis of the quantum mechanical results and the dynamical properties of aqueous pyrazole solutions have been studied by molecular dynamics simulations. Finally, the structure of pyrazole-water solutions at different concentrations has been investigated by energy dispersive X-ray diffraction and experimental results have been compared to calculations. This comparison provides both a tool for interpretation of experiments and a way to validate the computational protocol.
Related Concept Videos
Aryldiazonium Salts to Azo Dyes: Diazo Coupling
Diazonium Group Substitution: –OH and –H
Aldehydes and Ketones with Water: Hydrate Formation
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
Diazonium Group Substitution with Halogens and Cyanide: Sandmeyer and Schiemann Reactions
1° Amines to Diazonium or Aryldiazonium Salts: Diazotization with NaNO2 Mechanism
Carboxylic Acids to Methylesters: Alkylation using Diazomethane

![Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F60786.jpg&w=3840&q=50)