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Computed (DFT) geometric distortion of 2 vs. analogous benzynes lacking the TMS and/or having the electronegative NTs moiety replaced by a methylene group
| ||||
|---|---|---|---|---|
| Angle (°) | 2 | 2(-TMS) | 2(CH2) | 2(CH2-TMS) |
| ∠a | 114.8° | 117.7° | 120.8° | 125.3° |
| ∠.b | 138.8° | 136.0° | 134.1° | 129.9° |
| ∠b–∠a | 24.0° | 18.3° | 13.3° | 4.6° |
