Goel, Atul ; Verma, Deepti ; Pratap, Ramendra ; Taneja, Gaurav ; Hemberger, Yasmin ; Knauer, Michael ; Raghunandan, Resmi ; Maulik, Prakas Ranjan ; Ram, Vishnu Ji ; Bringmann, Gerhard (2011) Partially Hydrogenated 7-Oxa[5]helicenes and [5]Helicenes: Synthesis, Structures, and Dynamics European Journal of Organic Chemistry, 2011 (16). pp. 2940-2947. ISSN 1434-193X
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Official URL: http://doi.org/10.1002/ejoc.201001565
Related URL: http://dx.doi.org/10.1002/ejoc.201001565
Abstract
The synthesis, structural analysis, and configurational stability of partially hydrogenated functionalized [5]helicenes and oxa[5]helicenes have been studied. To calculate the inversion barrier of the helimeric enantiomers P‐6e and M‐6e, the molecular geometries of both the ground states and the transition states were optimized byusing density functional theory (DFT) at the B3LYP/6‐311G* level.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley & Sons, Inc. |
| Keywords: | Helical Structures; Fused‐Ring Systems; Polycycles Chirality; Conformation Analysis; Density Functional Calculations. |
| ID Code: | 117948 |
| Deposited On: | 07 May 2021 05:45 |
| Last Modified: | 07 May 2021 05:45 |
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