Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/99968
Title: Hydantoins and Mercaptoimidazoles
Other Titles: Vibrational Spectroscopy as a Probe of Structure and Reactivity in Different Environments, from the Isolated Molecule to Polymorphs
Authors: Fausto, Rui 
Ogruc Ildiz, Gulce 
Brás, Elisa Cristina Marçalo 
Nogueira, Bernardo Albuquerque 
Issue Date: 11-Oct-2018
Publisher: Springer
Project: PTDC/QEQ-QFI/3284/2014 
POCI-01-0145-FEDER-016617 
CCMAR/BI/0013/2017 
PTDC/MAR-BIO/4132/2014 
SFRH/BD/129852/2017 
Serial title, monograph or event: Challenges and Advances in Computational Chemistry and Physics
Abstract: In this Chapter, we highlight the power of vibrational spectroscopy as central technique to investigate the structure and reactivity of two relevant families of nitrogen-containing heterocyclic molecules: hydantoins, and mercaptoimidazoles. Infrared spectroscopy is used in connection with the matrix isolation technique to investigate the structures of the isolated molecules and their photochemistry, while both infrared and Raman spectroscopies, supplemented by thermodynamics, microscopy and diffraction techniques, are used to investigate neat condensed phases of the compounds and transitions between these phases. The experimental studies are supported by extensive computational studies, which include several approaches for detailed analysis of the electron density.
URI: http://hdl.handle.net/10316/99968
Rights: openAccess
Appears in Collections:I&D CQC - Livros e capítulos de livros

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