Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes
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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)).
Source:
Physical Chemistry Chemical Physics, 2017, 19, 13, 8657-8660Publisher:
- Royal Soc Chemistry, Cambridge
Funding / projects:
- Noncovalent interactions of pi-systems and their role in molecular recognition (RS-MESTD-Basic Research (BR or ON)-172065)
- Qatar Foundation for Education, Science and Community Development
Note:
- 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
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3231
DOI: 10.1039/c6cp08796e
ISSN: 1463-9076
WoS: 000399004700003
Scopus: 2-s2.0-85019364515
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Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Janjić, Goran V. AU - Milosavljević, Milica D. AU - Veljković, Dušan Ž. AU - Zarić, Snežana D. PY - 2017 UR - https://cherry.chem.bg.ac.rs/handle/123456789/3230 AB - 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)). PB - Royal Soc Chemistry, Cambridge T2 - Physical Chemistry Chemical Physics T1 - Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes VL - 19 IS - 13 SP - 8657 EP - 8660 DO - 10.1039/c6cp08796e ER -
@article{ author = "Janjić, Goran V. and Milosavljević, Milica D. and Veljković, Dušan Ž. and Zarić, Snežana D.", year = "2017", 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)).", publisher = "Royal Soc Chemistry, Cambridge", journal = "Physical Chemistry Chemical Physics", title = "Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes", volume = "19", number = "13", pages = "8657-8660", doi = "10.1039/c6cp08796e" }
Janjić, G. V., Milosavljević, M. D., Veljković, D. Ž.,& Zarić, S. D.. (2017). Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes. in Physical Chemistry Chemical Physics Royal Soc Chemistry, Cambridge., 19(13), 8657-8660. https://doi.org/10.1039/c6cp08796e
Janjić GV, Milosavljević MD, Veljković DŽ, Zarić SD. Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes. in Physical Chemistry Chemical Physics. 2017;19(13):8657-8660. doi:10.1039/c6cp08796e .
Janjić, Goran V., Milosavljević, Milica D., Veljković, Dušan Ž., Zarić, Snežana D., "Prediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexes" in Physical Chemistry Chemical Physics, 19, no. 13 (2017):8657-8660, https://doi.org/10.1039/c6cp08796e . .