Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/76250
Título
Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations
Autor
Año del Documento
2025
Editorial
Wiley-VCH
Descripción
Producción Científica
Documento Fuente
ChemPhysChem, 2025, vol. 00, 202500035
Resumo
Adamantane derivatives are promising candidates in the design of new materials with unique properties. In this study, the molecular structure of a series of adamantyl esters and ethers with an increasing substituent size using broadband rotational spectroscopy is investigated. The experimental structure for three of the compounds using different methods to compare them with theoretical bond distances and angles is determined. The influence on oxygen functional group variation as well as the increasing size of the second alkyl substituent on the adopted gas-phase structure is assessed. This study advances previous work on similar systems to shine more light on the molecular features of adamantyl covalent assemblies with oxygen atoms.
Materias (normalizadas)
Rotational spectroscopy
Computations
ISSN
1439-4235
Revisión por pares
SI
Patrocinador
Este trabajo forma parte del proyecto de investigación: Croatian Science Foundation (Grant number(s): UIP-2017-05-9653); Deutsche Forschungsgemeinschaft (Grant number(s): SCHN1280/4-2)
Propietario de los Derechos
© 2025 The Author(s)
Idioma
eng
Tipo de versión
info:eu-repo/semantics/publishedVersion
Derechos
openAccess
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