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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 V. | |
dc.creator | Milosavljević, Milica D. | |
dc.creator | Veljković, Dušan Ž. | |
dc.creator | Zarić, Snežana D. | |
dc.date.accessioned | 2018-11-22T00:39:52Z | |
dc.date.available | 2018-11-22T00:39:52Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 1463-9076 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/2444 | |
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 | restrictedAccess | |
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.; Јањиц, Г. В.; Вељковић, Душан; Зарић, Снежана; | |
dc.citation.volume | 19 | |
dc.citation.issue | 13 | |
dc.citation.spage | 8657 | |
dc.citation.epage | 8660 | |
dc.identifier.wos | 000399004700003 | |
dc.identifier.doi | 10.1039/c6cp08796e | |
dc.citation.other | 19(13): 8657-8660 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 28317955 | |
dc.description.other | Peer-reviewed manuscript: [http://cherry.chem.bg.ac.rs/handle/123456789/3230] | |
dc.description.other | Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3231] | |
dc.type.version | publishedVersion | en |
dc.identifier.scopus | 2-s2.0-85019364515 |