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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 | 2019-07-11T12:39:37Z | |
dc.date.available | 2019-07-11T12:39:37Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 1463-9076 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/3230 | |
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)). | |
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.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
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 | |
dc.type | article | |
dc.rights.license | BY-NC-ND | |
dcterms.abstract | Зарић, Снежана; Јањић, Горан В.; Милосављевић, Милица Д.; Вељковић, Душан Ж.; | |
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.rank | M21 | |
dc.description.other | This is the peer-reviewed version of the following article: Janjić, G. V.; Milosavljević, M. D.; Veljković, D. Ž.; Zarić, S. D. Prediction of Strong O-H/M Hydrogen Bonding between Water and Square-Planar Ir and Rh Complexes. Physical Chemistry Chemical Physics 2017, 19 (13), 8657–8660. [https://doi.org/10.1039/c6cp08796e] | |
dc.description.other | Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3231] | |
dc.type.version | acceptedVersion | |
dc.identifier.scopus | 2-s2.0-85019364515 | |
dc.identifier.fulltext | https://cherry.chem.bg.ac.rs/bitstream/id/8029/janjic2017.pdf |