Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F15%3A00112209" target="_blank" >RIV/00216224:14310/15:00112209 - isvavai.cz</a>
Alternative codes found
RIV/70883521:28140/15:43873054 RIV/70883521:28610/15:43873054 RIV/70883521:28110/15:43873054
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0022286014012800" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0022286014012800</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.12.074" target="_blank" >10.1016/j.molstruc.2014.12.074</a>

Result language
angličtina
Original language name
Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones
Original language description
The interest in the oxo-enol tautomerism of 1,3-dioxo compounds is justified by their usefulness in many synthetic fields. A series of new 1,3-bis(1-adamantyl)propan-1,3-diones with a variably substituted phenyl ring at the C2 position was prepared either by the reaction of an appropriate Grignard reagent with adamatane-1-carbonyl chloride or by SEAr on the unsubstituted 1,3-bis(1-adamanty1)-2-phenylpropan-1,3-dione. In addition to the single crystal X-ray diffraction analysis of three of the prepared compounds, the experimental H-1 and C-13 NMR, IR and Raman spectroscopic data were assigned and compared to those obtained by DFT computations. In the solid state, the syn-dioxo forms were exclusively observed, which are shown to also predominate in CHCl3 solutions. The analysis of the Hirshfeld surface revealed that H center dot center dot center dot H and O center dot center dot center dot H contacts dominate the intermolecular interactions in the solid state, whereas it pi center dot center dot center dot pi stacking plays a marginal role.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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