Burić, Nataša; Loru, Donatella; Alić Stolar, Jasna; Šekutor, Marina; Schnell, Melanie; Pinacho, Pablo (2025) Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations. ChemPhysChem, 26 (15). ISSN 1439-4235
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Abstract
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.
| Item Type: | Article | ||||||||
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| Uncontrolled Keywords: | adamantyl derivatives; increasing size substituents; molecular structures; rotational spectroscopy | ||||||||
| Subjects: | NATURAL SCIENCES > Chemistry > Organic Chemistry | ||||||||
| Divisions: | Division of Organic Chemistry and Biochemistry | ||||||||
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| Depositing User: | Lorena Palameta | ||||||||
| Date Deposited: | 03 Sep 2025 13:13 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/9963 | ||||||||
| DOI: | 10.1002/cphc.202500035 |
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