- Author
- Isaac F. Leach, Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco Havenith (UGent) and Johannes E. M. N. Klein
- Organization
- Abstract
- Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multiconfigurational (CASSCF) calculations corroborate the findings, highlighting the gap between the electonic structures and the oxidation state formalism.
- Keywords
- Inorganic Chemistry, AB-INITIO, CHEMISTRY, ENERGY, STATE, REACTIVITY, VALENCE, BOND, ELECTRONEGATIVITY, APPROXIMATION, ABSORPTION
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Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-01H3XY1TPME5RAE4YQWMT71B1R
- MLA
- Leach, Isaac F., et al. “How Reduced Are Nucleophilic Gold Complexes?” DALTON TRANSACTIONS, vol. 52, no. 1, 2023, pp. 11–15, doi:10.1039/d2dt01694j.
- APA
- Leach, I. F., Sorbelli, D., Belpassi, L., Belanzoni, P., Havenith, R., & Klein, J. E. M. N. (2023). How reduced are nucleophilic gold complexes? DALTON TRANSACTIONS, 52(1), 11–15. https://doi.org/10.1039/d2dt01694j
- Chicago author-date
- Leach, Isaac F., Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco Havenith, and Johannes E. M. N. Klein. 2023. “How Reduced Are Nucleophilic Gold Complexes?” DALTON TRANSACTIONS 52 (1): 11–15. https://doi.org/10.1039/d2dt01694j.
- Chicago author-date (all authors)
- Leach, Isaac F., Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco Havenith, and Johannes E. M. N. Klein. 2023. “How Reduced Are Nucleophilic Gold Complexes?” DALTON TRANSACTIONS 52 (1): 11–15. doi:10.1039/d2dt01694j.
- Vancouver
- 1.Leach IF, Sorbelli D, Belpassi L, Belanzoni P, Havenith R, Klein JEMN. How reduced are nucleophilic gold complexes? DALTON TRANSACTIONS. 2023;52(1):11–5.
- IEEE
- [1]I. F. Leach, D. Sorbelli, L. Belpassi, P. Belanzoni, R. Havenith, and J. E. M. N. Klein, “How reduced are nucleophilic gold complexes?,” DALTON TRANSACTIONS, vol. 52, no. 1, pp. 11–15, 2023.
@article{01H3XY1TPME5RAE4YQWMT71B1R,
abstract = {{Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multiconfigurational (CASSCF) calculations corroborate the findings, highlighting the gap between the electonic structures and the oxidation state formalism.}},
author = {{Leach, Isaac F. and Sorbelli, Diego and Belpassi, Leonardo and Belanzoni, Paola and Havenith, Remco and Klein, Johannes E. M. N.}},
issn = {{1477-9226}},
journal = {{DALTON TRANSACTIONS}},
keywords = {{Inorganic Chemistry,AB-INITIO,CHEMISTRY,ENERGY,STATE,REACTIVITY,VALENCE,BOND,ELECTRONEGATIVITY,APPROXIMATION,ABSORPTION}},
language = {{eng}},
number = {{1}},
pages = {{11--15}},
title = {{How reduced are nucleophilic gold complexes?}},
url = {{http://doi.org/10.1039/d2dt01694j}},
volume = {{52}},
year = {{2023}},
}
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