Molecular Structure of Triphenylphosphine by Gas-Phase Electron Diffraction and ab initio Calculations |
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| Authors: | Naumov V. A. Tafipol'skii M. A. Naumov A. V. Shorokhov D. Yu. Samdal S. |
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| Affiliation: | (1) Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia;(2) Zelinskii Institute of Organic Chemistry, Moscow, Russia;(3) University of Oslo, Norway |
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| Abstract: | The molecular structure of triphenylphosphine was determined by gas-phase electron diffraction and quantum-chemical calculations. The symmetry of the molecule is C3 with the LpPCC torsion angle of 32.2(3.0)°. The main geometrical parameters are as follows: bond distances, Å: P-Cl 1.839(2), C-Cav 1.400(1), and C-H 1.098(3); bond angles, deg: CPC 102.2(3), PCC 115.3(5), and CCipsoC 119.4(4). |
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