X-Ray Crystal Structure Analysis of Radical Bisphthalocyaninatoneodymium(III).
Abstract
The molecular structure of bisphthalocyaninatoneodymium(III) has been determined by three-dimensional X-ray analysis. The orthorhombic cell dimensions and space group are a = 8.030(4), b = 22.925(7), and c = 28.315(7) A; Z = 4; V = 5212.4 (3.3 A); and P2 sub 1 2 sub 1 2 sub 1. The final parameters were determined from 3505 independent reflections. The least-squares fitting of the data refined to R sub 1 = 7.4%. A neodymium ion occupies a central position between two parallel, but staggered (45 deg) phthalocyanine ligands. The average of the eight Nd-N bond distances is 2.47(4) A. While one of the phthalocyanine macrocycles is slightly saucer-shaped towards the neodymium atom, the other is planar; angles of tilt range from 2.5 to 7.0 deg. The neodymium atom is an equal distance of 1.47(1) A from each of the two macrocyclic planes. From EPR measurements, the title complex was found to contain an organic-free radical (g-2.0029). Magnetic susceptibility measurements also demonstrated that the title complex contains one organic-free radical which could have an exchange interaction with f-electrons of the central neodymium(III) ion. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 01, 1980
- Accession Number
- ADA085961
Entities
People
- K. Kasuga
- K. Tatsumi
- M. Tsutsui
- N. Van Opdenbosch
- R. C. Pettersen
Organizations
- Texas A&M University