RT info:eu-repo/semantics/article
T1 Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations
A1 Burić, Nataša
A1 Loru, Donatella
A1 Alić, Jasna
A1 Šekutor, Marina
A1 Schnell, Melanie
A1 Pinacho Morante, Pablo
K1 Rotational spectroscopy
K1 Computations
AB 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.
PB Wiley-VCH
SN 1439-4235
YR 2025
FD 2025
LK https://uvadoc.uva.es/handle/10324/76250
UL https://uvadoc.uva.es/handle/10324/76250
LA eng
NO ChemPhysChem, 2025, vol. 00, 202500035
NO Producción Científica
DS UVaDOC
RD 26-jul-2025