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Molecular Recognition, Transient Chirality and Sulfur Hydrogen Bonding in the Benzyl Mercaptan Dimer
| Content Provider | MDPI |
|---|---|
| Author | Jos, é A. Fernández Saragi, Rizalina Tama Juanes, Marcos Pinacho, Ruth Rubio, José Emiliano Lesarri, Alberto |
| Copyright Year | 2021 |
| Description | The homodimers of transiently chiral molecules offer physical insight into the process of molecular recognition, the preference for homo or heterochiral aggregation and the nature of the non-covalent interactions stabilizing the adducts. We report the observation of the benzyl mercaptan dimer in the isolation conditions of a supersonic jet expansion, using broadband (chirped-pulse) microwave spectroscopy. A single homochiral isomer was observed for the dimer, stabilized by a cooperative sequence of S-H···S and S-H···π hydrogen bonds. The structural data, stabilization energies and energy decomposition describe these non-covalent interactions as weak and dispersion-controlled. A comparison is also provided with the benzyl alcohol dimer. |
| Starting Page | 2022 |
| e-ISSN | 20738994 |
| DOI | 10.3390/sym13112022 |
| Journal | Symmetry |
| Issue Number | 11 |
| Volume Number | 13 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2021-10-26 |
| Access Restriction | Open |
| Subject Keyword | Symmetry Chiral Recognition Transient Chirality Non-covalent Interactions Sulfur Hydrogen Bonding Rotational Spectroscopy Jet Spectroscopy |
| Content Type | Text |
| Resource Type | Article |