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Title: Crystal and molecular structure of aquo(dihydrogen ethylenediamine-di(isopropylphosphonato) copper(II) monohydrate (Cu(H/sub 2/EDDIPH)H/sub 2/O) x H/sub 2/O

Journal Article · · Sov. J. Coordinat. Chem.; (United States)
OSTI ID:6367544

An x-ray structural investigation of (Cu(H/sub 2/EDDIPH)H/sub 2/O) x H/sub 2/O, where H/sub 2/EDDIPH/sup 2 -/ denotes an acidic ethylenediaminedi(isopropylphosphonate) anion, has been carried out (lambda Mo K..cap alpha.., 1506 reflections, direct method, anisotropic least-squares method to R = 0.036). The crystals are orthorhombic: a = 6.685(1), b = 15.605(4), c = 15.159(4) A, Z = 4, space group Pbc2/sub 1/. The Cu atom has tetragonal-pyramidal coordination with two O atoms and two N atoms of the tetradentate ligand in the base and with the O atom of a water molecule at the apex. The bond lengths in the polyhedron are as follows: Cu-O = 1.912(5) and 1.968(5) A, Cu-O/sub w1/ = 2.302(5), and Cu-N = 2.014(6) and 2.059(6) A. The molecules exist in a meso form. Each of the two terminal ionized oxygen atoms of the monoprotonated phosphonate groups serves as an acceptor in three H bonds of the O...H-O, O...H-N, and O...H/sub w1/-O/sub w1/ types (w1 denotes a coordinated water molecule) with an adjacent molecule, one of the H bonds being weakened. Two H rings are formed as a result. One is six-membered and is similar to the ring discovered in the structure of ethylenediaminetetramethylphosphonic acid. A comparison with the structure of the complex compound of H/sub 4/EDDIPH with oxonium cations has been made.

Research Organization:
All-Union Scientific-Research Institute of Chemical Reagents and Ultrapure Chemical Substances, USSR
OSTI ID:
6367544
Journal Information:
Sov. J. Coordinat. Chem.; (United States), Vol. 12:7; Other Information: Translated from Koordinatsionnaya Khimiya; 12: No.7, 981-990(Jul 1986)
Country of Publication:
United States
Language:
English