ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

Hits per page

hit 1 - 1 | 1 hit

Sorting

Electronic Resource

Ab initio study of the HCO-3/H2O exchange in the (NH3)3ZnII(HCO-3) complex (1995)

Solà, Miquel ; Andrés, José L. ; Duran, Miquel ; [et al.]

Springer

Theoretica chimica acta 91 (1995), S. 333-351

add to mindlist on the mindlist

Details

ISSN: 0040-5744

Keywords: Key words: Carbonic anhydrase (CA) ; HCO-3/H2O exchange ; Continuum model ; Environmental effects

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Summary. The displacement of bicarbonate anion in the (NH3)3ZnII(HCO- 3) complex with water has been studied through ab initio calculations. It has been found that H2O binds to the (NH3)3ZnII(HCO- 3) species yielding a stable pentacoordinate (NH3)3ZnII(HCO- 3)(H2O) complex. The results also indicate that deprotonation of water in the pentacoordinate species facilitates the release of HCO- 3, although, the presence of HCO- 3 in the coordination sphere of ZnII makes such deprotonation more difficult. Environmental effects have been considered in the study of HCO- 3/H2O exchange.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01133079

Permalink

	Location	Call Number	Expected	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit