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, 8657-8660
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
TY - JOUR
AU - Janjić, Goran
AU - Milosavljevic, M. D.
AU - Veljković, Dušan
AU - Zarić, Snežana D.
PY - 2017
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/3237
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 and Milosavljevic, M. D. and Veljković, Dušan 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., Milosavljevic, M. D., Veljković, D.,& 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 G, Milosavljevic MD, Veljković D, 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, Milosavljevic, M. D., Veljković, Dušan, 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 . .
