Sterically hindered solvent extractants. II. A neutron-diffraction study of the di-tert-butylplosphinic acid dimer showing strong asymmetric hydrogen bonding

Journal Article · Mon Nov 01 04:00:00 EST 1976 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic50165a036· OSTI ID:7234522

Reis, Jr, A H; Peterson, S W; Druyan, M E; Gebert, E; Mason, G W; Peppard, D F

Di-tert-butylphosphinic acid, ((CH/sub 3/)/sub 3/C)/sub 2/PO(OH), is shown to be dimeric in the solid state with two acid molecules linked together by strong linear, 2.486 (9) A, asymmetric hydrogen bonds forming an eight-membered centrosymmetric ring (1). The two O--H distances in the asymmetric H bond are 1.114 (15) and 1.372 (14) A, the primary O--H being considerably lengthened. The molecule crystallizes in the monoclinic space group, P2/sub 1//c, with unit cell parameters a = 8.979 (6), b = 13.119 (9), c = 10.576 (7) A, ..beta.. = 118.03 (3)/sup 0/, and Z = 4. The structure was solved using the heavy-atom coordinates of the previously determined x-ray model and refined using 1001 three-dimensional neutron data by Fourier and full-matrix least-squares techniques to R/sub F/ = 0.048 for 525 reflections where F/sub 0/ greater than 3 sigma(F/sub 0/). The P--O bond lengths are P--O(1) = 1.531 (7) A and P--O(2) = 1.518 (9) A.

• Research Organization: Argonne National Lab., IL
• OSTI ID: 7234522
• Journal Information: Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 15:11; ISSN INOCA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
MOLECULAR STRUCTURE
NEUTRON DIFFRACTION
ORGANIC COMPOUNDS
ORGANIC PHOSPHORUS COMPOUNDS
PHOSPHINIC ACIDS
SCATTERING