 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 1]](wu5007fig1mag.jpg)
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Figure 1
(Left) The minimum-energy path for the addition of a hydride ion to formaldehyde. The points A, B, C, D, E correspond to H−⋯C distances of 3.0, 2.5, 2.0, 1.5 and 1.12 Å, respectively, for which the calculated binding energies (relative to infinitely separated H− + CH2O) are 19.4, 21.2, 26.7, 39.9 and 48.4 kcal mol−1, respectively. The dashed and dotted curves show paths that are 0.6 and 6.0 kcal mol−1 higher than the minimum-energy path. (Right) Energy profiles for lateral angular displacements out of the XZ plane. Reprinted with permission from Bürgi et al. (1974  ), copyright (1974) Elsevier. |
![[Figure 1]](wu5007fig1.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
