Abstract
The molecular structure of tris-2,2,6,6-tetramethyl-heptane-3,5-dione indium, or In(thd)3, has been determined by gas-phase electron diffraction monitored by mass spectrometry (GED/MS) and quantum chemical (DFT) calculations. Both the DFT calculations and the GED data collected at 387(8) K indicate that the molecules have D 3 symmetry with a distorted anti-prismatic InO6 coordination geometry. According to GED refinements, the twist angle θ, i.e. the angle of rotation of the upper and lower O3 triangles in opposite directions relative to their positions in a regular prism is θ = ±24.9(1.2)° and the bond distances (r h1) in the chelate ring are In–O = 2.127(4) A, C–O = 1.268(3) A and C–C = 1.411(3) A, respectively. The DFT calculations yielded structure parameters in close agreement with those found experimentally.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
