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Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy |
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| Authors: | Dr Pablo Pinacho Dr Donatella Loru Dr Tatjana ?umanovac Dr Marina ?ekutor Prof?Dr Melanie Schnell |
| Institution: | 1. Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany;2. Department of Organic Chemistry and Biochemistry, Ru?er Bo?kovi? Institute, Bijeni?ka cesta 54, 10000 Zagreb, Croatia
Contribution: Formal analysis (equal), ?Investigation (equal), Writing - review & editing (equal);3. Department of Organic Chemistry and Biochemistry, Ru?er Bo?kovi? Institute, Bijeni?ka cesta 54, 10000 Zagreb, Croatia |
| Abstract: | We report on the synthesis and characterization using high-resolution rotational spectroscopy of three bulky thioethers that feature an adamantyl group connected to a sulfur atom. Detailed experimental and theoretical structures are provided and compared with the 1,1′-diadamantyl ether. In addition, we expand on previous findings concerning microsolvation of adamantyl derivatives by investigating the cluster formation between these thioethers and a water molecule. The investigation of such clusters provides valuable insights into the sulfur-centered hydrogen bonding in thioethers with increasing size and steric repulsion. |
| Keywords: | thioether sulfur-centered hydrogen bond adamantyl derivatives non-covalent interactions rotational spectroscopy |