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@ARTICLE{Buri:619608,
      author       = {Burić, Nataša and Loru, Donatella and Alić, Jasna and
                      Šekutor, Marina and Schnell, Melanie and Pinacho Morante,
                      Pablo},
      title        = {{E}lucidating the structures of substituted adamantyl
                      esters and ethers using rotational spectroscopy and
                      computations},
      journal      = {ChemPhysChem},
      volume       = {26},
      number       = {15},
      issn         = {1439-4235},
      address      = {Weinheim},
      publisher    = {Wiley-VCH Verl.},
      reportid     = {PUBDB-2024-07749},
      pages        = {e202500035},
      year         = {2025},
      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.},
      cin          = {FS-SMP},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-SMP-20171124},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project G:(GEPRIS)271359857 - Intra- und
                      untermolekulare Dispersionskräfte: Beiträge zum
                      Verständnis von Komplexbildung, Aggregation und dem Effekt
                      der Solvatisierung mit Hilfe eines bottom-up Ansatzes
                      (271359857)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)271359857},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1002/cphc.202500035},
      url          = {https://bib-pubdb1.desy.de/record/619608},
}