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Five-coordinate copper(II) complexes of GEM-N3P3Ph2(dmpz)4

✍ Scribed by K.R.Justin Thomas; P. Tharmaraj; V. Chandrasekhar; Syrona R. Scott; A. Wallace Cordes

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 337 KB
Volume: 14
Category: Article
ISSN: 0277-5387
DOI: 10.1016/0277-5387(94)00363-j

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All-electron ab iiiitio calculations (MP4/MP2 level) have been performed on [Cu(BH,)(PH,),] (n = 1, 2, 3) complexes. Full-geometry optimizations were carried out in each case, and the stationary points were characterized by the diagonalization of the analytically calculated Hessian matrix. The q2 co