guest ::
| Home > Publications database > London Dispersion and Hydrogen‐Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes |
| Home > Publications database > London Dispersion and Hydrogen‐Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes |
| Typ | Amount | VAT | Currency | Share | Status | Cost centre |
| Hybrid-OA | 2750.00 | 0.00 | EUR | 94.83 % | (DEAL) | |
| Other | 150.00 | 0.00 | EUR | 5.17 % | (DEAL) | |
| Sum | 2900.00 | 0.00 | EUR | |||
| Total | 2900.00 |
| Journal Article | PUBDB-2021-00614 |
; ; ; ; ;
2020
Wiley-VCH
Weinheim
This record in other databases: 
Please use a persistent id in citations: doi:10.1002/chem.202001444 doi:10.3204/PUBDB-2021-00614
Abstract: Diadamantyl ether (DAE, C20H30O) represents a good model to study the interplay between London dispersion and hydrogen‐bond interactions. By using broadband rotational spectroscopy, an accurate experimental structure of the diadamantyl ether monomer is obtained and its aggregates with water and a variety of aliphatic alcohols of increasing size are analyzed. In the monomer, C−H⋅⋅⋅H−C London dispersion attractions between the two adamantyl subunits further stabilize its structure. Water and the alcohol partners bind to diadamantyl ether through hydrogen bonding and non‐covalent Owater/alcohol⋅⋅⋅H−CDAE and C−Halcohol⋅⋅⋅H−CDAE interactions. Electrostatic contributions drive the stabilization of all the complexes, whereas London dispersion interactions become more pronounced with increasing size of the alcohol. Complexes with dominant dispersion contributions are significantly higher in energy and were not observed in the experiment. The results presented herein shed light on the first steps of microsolvation and aggregation of molecular complexes with London dispersion energy donor (DED) groups and the kind of interactions that control them.
; 
; 
; Chemical Reactions ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; Index Chemicus ; JCR ; Nationallizenz
; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
|
The record appears in these collections: |
PDF
PDF (PDFA)