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Article: Theoretical binding energies of lithium ions to short-chain alcohols

TitleTheoretical binding energies of lithium ions to short-chain alcohols
Authors
Issue Date1998
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 1998, v. 288 n. 2-4, p. 408-412 How to Cite?
AbstractThe binding energies of lithium ion to methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol and t-butanol are calculated using an ab initio molecular orbital method. The calculated enthalpy and Gibbs free energy is in excellent agreement with experimental values reported recently by M.T. Rodgers and P.B. Armentrout [J. Phys. Chem. A 101 (1997) 1238]. Based on our theoretical calculated results, it is recommended that the widely accepted Li+ affinity scale of R.W. Taft, F. Anvia, J.-F. Gal, S. Walsh, M. Capon, M.C. Holmes, K. Hosn, G. Oloumi, R. Vasanwala and S. Yazdani [Pure Appl. Chem. 62 (1990) 17] should decrease by 15±2 kJ mol-1.
Persistent Identifierhttp://hdl.handle.net/10722/167603
ISSN
2015 Impact Factor: 1.86
2015 SCImago Journal Rankings: 0.757
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorSiu, FMen_US
dc.contributor.authorMa, NLen_US
dc.contributor.authorTsang, CWen_US
dc.date.accessioned2012-10-08T03:08:58Z-
dc.date.available2012-10-08T03:08:58Z-
dc.date.issued1998en_US
dc.identifier.citationChemical Physics Letters, 1998, v. 288 n. 2-4, p. 408-412en_US
dc.identifier.issn0009-2614en_US
dc.identifier.urihttp://hdl.handle.net/10722/167603-
dc.description.abstractThe binding energies of lithium ion to methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol and t-butanol are calculated using an ab initio molecular orbital method. The calculated enthalpy and Gibbs free energy is in excellent agreement with experimental values reported recently by M.T. Rodgers and P.B. Armentrout [J. Phys. Chem. A 101 (1997) 1238]. Based on our theoretical calculated results, it is recommended that the widely accepted Li+ affinity scale of R.W. Taft, F. Anvia, J.-F. Gal, S. Walsh, M. Capon, M.C. Holmes, K. Hosn, G. Oloumi, R. Vasanwala and S. Yazdani [Pure Appl. Chem. 62 (1990) 17] should decrease by 15±2 kJ mol-1.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.titleTheoretical binding energies of lithium ions to short-chain alcoholsen_US
dc.typeArticleen_US
dc.identifier.emailSiu, FM:fmsiu@hku.hken_US
dc.identifier.authoritySiu, FM=rp00776en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/S0009-2614(98)00327-3-
dc.identifier.scopuseid_2-s2.0-0032557304en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0032557304&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume288en_US
dc.identifier.issue2-4en_US
dc.identifier.spage408en_US
dc.identifier.epage412en_US
dc.identifier.isiWOS:000074007900038-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridSiu, FM=6701518489en_US
dc.identifier.scopusauthoridMa, NL=7103357185en_US
dc.identifier.scopusauthoridTsang, CW=7202935952en_US

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