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oai:uvadoc.uva.es:10324/762502025-11-13T11:03:49Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

Burić, Nataša Loru, Donatella Alić, Jasna Šekutor, Marina Schnell, Melanie Pinacho Morante, Pablo 2025-07-04T10:40:05Z 2025-07-04T10:40:05Z 2025 ChemPhysChem, 2025, vol. 00, 202500035 1439-4235 https://uvadoc.uva.es/handle/10324/76250 10.1002/cphc.202500035 ChemPhysChem 00 1439-7641 Producción Científica 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. 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) Open access funding provided by FEDER European Funds and the Junta De Castilla y León under the Research and Innovation Strategy for Smart Specialization (RIS3) of Castilla y León 2021-2027. application/pdf eng Wiley-VCH info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/4.0/ © 2025 The Author(s) Atribución 4.0 Internacional Rotational spectroscopy Computations Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500035 SI