Strukturen sterisch überfüllter Moleküle, 39 [1,2]. Einkristall- und Gasphasen-Strukturen von 1,4-Bis(trimethylsiloxy)benzol
Structures of Sterically Overcrowded Molecules 39 [1,2]. Single Crystal and Gas Phase Structures of l,4-Bis(trimethylsiloxy)benzene
- 1,4-Bis(trimethylsiloxy)benzene has been crystallized both by vacuum sublimation and from «-heptane solution, which each yielded colourless plates with identical monoclinic unit cell dimensions (P2/n, Z = 4). The conformation of C[ symmetry shows the two (H3C)3SiO-substituents to be conrotationally twisted around the O-( C6H4)-O axis by dihedral angles o f ± 60°. According to the photoelectron spectroscopic ionisation pattern and its Koopmans’ assignment, IEVn = -εJAM 1, by AM 1 eigenvalues, the gas phase structure should also be of C, symmetry. The results of geometry-optimized MNDO , AM 1 or PM 3 calculations for the monosubstituted derivative H5C6-OS i(CH3)3 are compared with respect to the quality of their fit to the measured data.
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| Author: | Hans BockGND, Jochen Meuret, Jan W. Bats, Zdenek HavlasORCiD |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-816457 |
| DOI: | https://doi.org/10.1515/znb-1994-0222 |
| ISSN: | 1865-7117 |
| ISSN: | 0932-0776 |
| Parent Title (German): | Zeitschrift für Naturforschung, B |
| Publisher: | Verlag der Zeitschrift für Naturforschung |
| Place of publication: | Tübingen |
| Document Type: | Article |
| Language: | German |
| Date of Publication (online): | 2014/06/02 |
| Year of first Publication: | 1994 |
| Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2024/01/25 |
| Tag: | Photoelectron Spectroscopy; Quantum Chemical Calculations; Single Crystal Structure; Sterically Overcrowded Organosilicon Molecules |
| Volume: | 49.1994 |
| Issue: | 2 |
| Page Number: | 9 |
| First Page: | 288 |
| Last Page: | 296 |
| Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - Namensnennung-Nicht kommerziell-Keine Bearbeitung 3.0 |
