Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study

Zhurova, E.A.; Tsirelson, V.G.; Zhurov, V.V.; Stash, A.I.; Pinkerton, A.A.

doi:10.1107/S0108768106008329

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 5
Gradient paths in the electron density: (a) O1—H3⋯H1 plane, experimental data; the O1⋯H1, O1—H3 and H3⋯O1 bond paths are shown; (b) H1⋯H1⋯H1 plane, high-pressure (theoretical) data, two symmetry-equivalent H1⋯H1 bond paths are shown. (3,−3) critical points (maxima) are shown as red squares, (3,−1) bond critical points are red circles, bond paths are red lines and projections of atomic zero-flux surfaces are shown as black lines. See also Fig. 2

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 3| May 2006| Pages 513-520

doi:10.1107/S0108768106008329

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