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Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes
dc.creator | Janjić, Goran | |
dc.creator | Milosavljevic, M. D. | |
dc.creator | Veljković, Dušan | |
dc.creator | Zarić, Snežana D. | |
dc.date.accessioned | 2019-12-15T10:45:03Z | |
dc.date.available | 2018-03-07 | |
dc.date.issued | 2017 | |
dc.identifier.issn | 1463-9076 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/3237 | |
dc.description.abstract | Intermolecular OH/M interactions, between a water molecule and square-planar acac complexes ([M(acac)L-2]), with different types of L ligands (en, H2O, CO, CN-, and OH-) and different types of metal atoms (Ir(I), Rh(I), Pt(II), and Pd(II)) were studied by high level ab initio calculations. Among the studied neutral complexes, the [Pd(acac)(CN)(CO)] complex forms the weakest interaction, -0.62 kcal mol(-1), while the [Ir(acac)(en)] complex forms the strongest interaction, -9.83 kcal mol(-1), which is remarkably stronger than the conventional hydrogen bond between two water molecules (-4.84 kcal mol(-1)). | en |
dc.publisher | Royal Soc Chemistry, Cambridge | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS// | |
dc.relation | Qatar Foundation for Education, Science and Community Development | |
dc.rights | embargoedAccess | |
dc.source | Physical Chemistry Chemical Physics | |
dc.title | Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes | en |
dc.type | article | |
dc.rights.license | ARR | |
dcterms.abstract | Милосављевиц, М. Д.; Јањић, Горан; Вељковић, Душан; Зарић, Снежана Д.; | |
dc.citation.volume | 19 | |
dc.citation.issue | 13 | |
dc.citation.spage | 8657 | |
dc.citation.epage | 8660 | |
dc.citation.other | 19(13): 8657-8660 | |
dc.citation.rank | M21 | |
dc.description.other | Published version: [http://cer.ihtm.bg.ac.rs/handle/123456789/2220] | |
dc.description.other | This is peer-reviewed version of the article: G. Janjić, M. Milosavljević, D. Ž. Veljković, S. D. Zarić, Physical Chemistry Chemical Physics, 2017, 19, 13, 8657-8660;, DOI: [https://.dx.doi.org/10.1039/C6CP08796E] | |
dc.identifier.pmid | 28317955 | |
dc.identifier.doi | 10.1039/c6cp08796e | |
dc.identifier.fulltext | https://cer.ihtm.bg.ac.rs/bitstream/id/15541/Janjic_acc_10.1039.c6cp08796e.pdf | |
dc.identifier.scopus | 2-s2.0-85019364515 | |
dc.identifier.wos | 000399004700003 | |
dc.type.version | acceptedVersion |