Recent Lanthanide Articles
Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand
Title: Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand br/ Author(s): Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; et al. br/ Source: RSC ADVANCES, 10 (42): 24808-24816 JUL 2 2020 br/ Document Type: Article
PM7
Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials
José Diogo L. Dutra, Manoel A. M. Filho, Gerd B. Rocha, Ricardo O. Freire, Alfredo M. Simas, and James J. P. Stewart
J. Chem. Theory Comput., 2013, 9 (8), pp 3333–3341
Supplementary information available.
Example:
hexanitrato-lanthanum(iii), CCDC: FIVCIW
RM1
Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes
Manoel A. M. Filho, José Diogo L. Dutra, Gerd B. Rocha, Ricardo O. Freire and Alfredo M. Simas
Supplementary information available.
Example:
(tetrakis(2-Pyridylmethyl)-1,2-ethanediamine)-bis(nitrato-O,O')-lanthanum(iii), CCDC: NASTOQ
FAQ
In which software is the Sparkle Model implemented?
The sparkle model is implemented for all lanthanides in both MOPAC2012 and MOPAC2009, obtainable from http://openmopac.net, free for academics.
Current Chemistry Articles citing the Sparkle Model
A new brilliant red emitting Eu(III) ternary complex and its transparent flexible and photostable poly(urethane) hybrid thin film for optoelectronic applications
Title: A new brilliant red emitting Eu(III) ternary complex and its transparent flexible and photostable poly(urethane) hybrid thin film for optoelectronic applications br/ Author(s): Ilmi, Rashid; Anjum, Sadiya; Haque, Ashanul; et al. br/ Source: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 383: OCT 1 2019 br/ Document Type: Article
Lanthanide Contraction
The Lanthanide Contraction within the Sparkle Model
Author(s): Ricardo O. Freire and Alfredo M. Simas
Publication year: 2011
Journal / Book title: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Excerpt from the article:
