CRYSTAL STRUCTURE OF VANADYL BISACETYLACETONATE. GEOMETRY OF VANADIUM IN FIVEFOLD COORDINATION

Journal Article · Sat Jul 01 04:00:00 EDT 1961 · Journal of Chemical Physics (U.S.)

DOI:https://doi.org/10.1063/1.1731933· OSTI ID:4009464

Dodge, R P; Templeton, D H; Zalkin, A

The structure of vanadyl bisacetylacetonate was determined from three- dimensional x-ray diffraction data. The crystals are triclinic, space group Pl, with a = 7.53 plus or minus 0.02 A. b=8.23 plus or minus 0.03 A,c=11.24 plus or minus 0.04A, alpha =73-0- deg BETA =71-3- deg gamma = 66.6 gamma , Z = 2. The structure consists of discrete molecules of VO(C/sub 5/H/sub 7/O/sub 2/)/sub 2/. Each vanadium atom has five oxygen neighbors at the corners of a rectangular (nearly square) pyramid, with vanadium near its center of gravity. The vanadium-- oxygen distances are 1.56 A to the apex atom (vanadyl oxygen) and 1.96, 1.96, 1.97, and 1,98 A to the others. Other bond distances average 1.28 A for C - 0, 1.40 A for C --C (ring), and 1.52 A for C --C (methyl). Standard deviations are 0.01 A for V--0 bonds and 0.02 A for C --0 and C --C bonds. Each acetylacetone skeleton is planar, and this plane makes an angle of 163 deg with the plane of the other acetylacetone skeleton of the same molecule. (auth)

• Research Organization: Univ. of California, Berkeley
• Sponsoring Organization: USDOE
• NSA Number: NSA-15-025954
• OSTI ID: 4009464
• Report Number(s): UCRL-8225(Rev); 0021-9606
• Journal Information: Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 35; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

ACETONE
ACETYL RADICALS
ACETYLACETONE
BONDING
CARBON
CHEMISTRY
CONFIGURATION
CRYSTALS
DIFFRACTION
ESTERS
LATTICES
MOLECULES
ORGANIC COMPOUNDS
OXYGEN
QUANTITATIVE ANALYSIS
VANADIUM
VANADIUM COMPLEXES
VANADIUM COMPOUNDS
X RADIATION