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The Molecular Structure of 1,2-Dichloropropane

Wood, William W. and Schomaker, Verner (1952) The Molecular Structure of 1,2-Dichloropropane. Journal of Chemical Physics, 20 (4). pp. 555-560. ISSN 0021-9606. doi:10.1063/1.1700490.

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Under the assumption of V([open phi])=V_0[1—cos([open phi]—[open phi]_0)] / 2 for the potential hindering internal rotation, visual interpretation of the electron‐diffraction pattern leads to the results (best values and estimated limits of error): C–Cl, 1.79±0.035A; C···Cl, 2.715±0.025A; C–C, 1.56A (range: 1.49–1.60A); ∠C–C–Cl, 108±4°; |[open phi]_0| ≤ 30° (i.e., essentially trans in the chlorine atoms), with a small positive value of [open phi]0 (increasing CH_3···Cl primary ) most likely; V 0≥4 kcal/mole. The best value for V_0 ranges from 10 kcal/mole for [open phi]0=0° to 30–40 kcal/mole for [open phi]_ 0 = 25°. The diffraction pattern is almost indifferently compatible with fractions ranging up to 50 percent of a skew‐isomer with [open phi]_0 ∼ 120° and a sufficiently low value of V_0, but consideration of dipole moment data provides some further evidence on its structure while showing the fraction present to be about 20 percent with an upper limit of about 30 percent.

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Additional Information:© 1952 American Institute of Physics. (Received July 16, 1951) We are indebted to Dr. Hedberg for his assistance in the diffraction investigation, to Dr. Garner for the organic preparation, and to Dr. Oriani and Professor Smyth for their kindness in making available the dipole moment data before publication.
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Gates and Crellin Laboratories of Chemistry1595
Issue or Number:4
Record Number:CaltechAUTHORS:20161017-111309023
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Official Citation:The Molecular Structure of 1,2‐Dichloropropane Wood, William W. and Schomaker, Verner, The Journal of Chemical Physics, 20, 555-560 (1952), DOI:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:71167
Deposited By: George Porter
Deposited On:17 Oct 2016 20:52
Last Modified:11 Nov 2021 04:40

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