First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination
Eksperimentalni i teorijski dokazi da je Cu(II) jon u vodenom rastvoru pentakoordinovan
Апстракт
The structure of the hydrated Cu(II) complex was determined by both neutron diffraction and first-principles molecular dynamics. In contrast with the generally accepted picture, which assumes an octahedrally solvated Cu(II) ion, new experimental and theoretical results favor fivefold coordination. The simulation reveals that the solvated complex undergoes frequent transformations between square pyramidal and trigonal bipyramidal configurations. The preference of the Cu(II) ion for fivefold instead of six fold coordination, which occurs for other cations of comparable charge and size, results from Jahn-Teller destabilization of the octahedral complex.
Извор:
Hemijski pregled, 2001, 42, 6, 122-124Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Medaković, Vesna AU - Zarić, Snežana D. PY - 2001 UR - https://cherry.chem.bg.ac.rs/handle/123456789/248 AB - The structure of the hydrated Cu(II) complex was determined by both neutron diffraction and first-principles molecular dynamics. In contrast with the generally accepted picture, which assumes an octahedrally solvated Cu(II) ion, new experimental and theoretical results favor fivefold coordination. The simulation reveals that the solvated complex undergoes frequent transformations between square pyramidal and trigonal bipyramidal configurations. The preference of the Cu(II) ion for fivefold instead of six fold coordination, which occurs for other cations of comparable charge and size, results from Jahn-Teller destabilization of the octahedral complex. T2 - Hemijski pregled T1 - First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination T1 - Eksperimentalni i teorijski dokazi da je Cu(II) jon u vodenom rastvoru pentakoordinovan VL - 42 IS - 6 SP - 122 EP - 124 UR - https://hdl.handle.net/21.15107/rcub_cherry_248 ER -
@article{ author = "Medaković, Vesna and Zarić, Snežana D.", year = "2001", abstract = "The structure of the hydrated Cu(II) complex was determined by both neutron diffraction and first-principles molecular dynamics. In contrast with the generally accepted picture, which assumes an octahedrally solvated Cu(II) ion, new experimental and theoretical results favor fivefold coordination. The simulation reveals that the solvated complex undergoes frequent transformations between square pyramidal and trigonal bipyramidal configurations. The preference of the Cu(II) ion for fivefold instead of six fold coordination, which occurs for other cations of comparable charge and size, results from Jahn-Teller destabilization of the octahedral complex.", journal = "Hemijski pregled", title = "First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination, Eksperimentalni i teorijski dokazi da je Cu(II) jon u vodenom rastvoru pentakoordinovan", volume = "42", number = "6", pages = "122-124", url = "https://hdl.handle.net/21.15107/rcub_cherry_248" }
Medaković, V.,& Zarić, S. D.. (2001). First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination. in Hemijski pregled, 42(6), 122-124. https://hdl.handle.net/21.15107/rcub_cherry_248
Medaković V, Zarić SD. First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination. in Hemijski pregled. 2001;42(6):122-124. https://hdl.handle.net/21.15107/rcub_cherry_248 .
Medaković, Vesna, Zarić, Snežana D., "First solvation shell of the Cu(II) aqua ion: Evidence fore five-fold coordination" in Hemijski pregled, 42, no. 6 (2001):122-124, https://hdl.handle.net/21.15107/rcub_cherry_248 .