2026-05-17T12:38:38Zhttps://uvadoc.uva.es/oai/request

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

00925njm 22002777a 4500 dc Burić, Nataša author Loru, Donatella author Alić, Jasna author Šekutor, Marina author Schnell, Melanie author Pinacho Morante, Pablo author 2025 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. ChemPhysChem, 2025, vol. 00, 202500035 1439-4235 https://uvadoc.uva.es/handle/10324/76250 10.1002/cphc.202500035 ChemPhysChem 00 1439-7641 Rotational spectroscopy Computations Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations