Structures, stabilities and vibrational frequencies of (AlF3)m⋯(H2O)n adducts. A density functional study

Author:

Scholz G.,Krossner M.,Dummer A.,Stösser R.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference11 articles.

1. Temperature- and Gaseous Phase-Mediated Reorganization and Paramagnetic Doping of Solid Aluminum Fluorides: ESR andab InitioQuantum Chemical Studies

2. Oxygen-Bridged Adducts Formed by Chemical Reactions of Solid Aluminum Halides. Experimental Dilemma and ab Initio Calculations of Heterodimer Complexes AlX3−Y (X = F, Cl; Y = OH-, H2O)

3. Ab Initio Study of the AlX3···2H2O (X = F, Cl) and AlF3···3H2O Complexes

4. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Rev. B.3, Gaussian, Inc., Pittsburgh, PA, 1995.

5. GAUSSVIEW, Gaussian, Inc., Carnegie Office Park, Carnegie, PA 15106, USA.

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