Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data
Publication
, Journal Article
Kowall, T; Caravan, P; Bourgeois, H; Helm, L; Rotzinger, FP; Merbach, AE
Published in: Chemtracts
February 1, 1999
Rates of water exchange (k298) for spherically symmetric metal ions can be simulated by ab initio calculations, and are influenced by the size of the metal ion (ri) and overall charge of the aqua complex (Z). For these aquated ions where ligand-field effects are not operable, there exists a linear relationship between log rate constant for water exchange and charge-to-radius ratio (Z/ri) of the complex/metal ion.
Duke Scholars
Published In
Chemtracts
ISSN
1431-9268
Publication Date
February 1, 1999
Volume
12
Issue
2
Start / End Page
102 / 109
Related Subject Headings
- Organic Chemistry
Citation
APA
Chicago
ICMJE
MLA
NLM
Kowall, T., Caravan, P., Bourgeois, H., Helm, L., Rotzinger, F. P., & Merbach, A. E. (1999). Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data. Chemtracts, 12(2), 102–109.
Kowall, T., P. Caravan, H. Bourgeois, L. Helm, F. P. Rotzinger, and A. E. Merbach. “Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data.” Chemtracts 12, no. 2 (February 1, 1999): 102–9.
Kowall T, Caravan P, Bourgeois H, Helm L, Rotzinger FP, Merbach AE. Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data. Chemtracts. 1999 Feb 1;12(2):102–9.
Kowall, T., et al. “Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data.” Chemtracts, vol. 12, no. 2, Feb. 1999, pp. 102–09.
Kowall T, Caravan P, Bourgeois H, Helm L, Rotzinger FP, Merbach AE. Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+, Ga3+, and In3+, and new experimental data. Chemtracts. 1999 Feb 1;12(2):102–109.
Published In
Chemtracts
ISSN
1431-9268
Publication Date
February 1, 1999
Volume
12
Issue
2
Start / End Page
102 / 109
Related Subject Headings
- Organic Chemistry