Comment on "The oxidation state in low-valent beryllium and magnesium compounds" by M. Gimferrer, S. Dan ′es, E. Vos, C. B. Yildiz, I. Corral, A. Jana, P. Salvador and D. M. Andrada, Chem. Sci. 2022, 13, 6583

被引：21

作者：

Pan, Sudip ^{[1
]}

Frenking, Gernot ^{[1
,2
,3
]}

机构：

[1] Philipps Univ Marburg, Fachbereich Chem, Marburg, Germany

[2] Donostia Int Phys Ctr DIPC, San Sebastian 20018, Spain

[3] Nanjing Tech Univ, Inst Adv Synth, Jiangsu Natl Synerget Innovat Ctr Adv Mat, Sch Chem & Mol Engn, Nanjing, Peoples R China

来源：

CHEMICAL SCIENCE | 2023年 / 14卷 / 02期

关键词：

COMPLEXES; BOND; CHARGE; MG;

D O I：

10.1039/d2sc04231b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We challenge the assignment of the oxidation state +2 for beryllium and magnesium in the complexes Be(cAAC(Dip))(2) and Mg(cAAC(Dip))(2) as suggested by Gimferrer et al., Chem. Sci. 2022, 13, 6583 in a recent study. A careful review of the data in the ESI contradicts their own statement and shows that the results support the earlier suggestion that the metals are in the zero oxidation state. The authors reported wrong data for the excitation energies of Be and Mg to the D-1 (np(2)) state. We also correct some misleading statements about the EDA method.

引用

页码：379 / 383

页数：5

共 47 条

[1] ENERGY-LEVELS IN THE MAGNESIUM SEQUENCE, MG-I-MN-XIV, CALCULATED IN THE MULTICONFIGURATION OPTIMIZED POTENTIAL MODEL
AASHAMAR, K
LUKE, TM
TALMAN, JD
[J]. PHYSICA SCRIPTA, 1986, 34 (05): : 386 - 393
[2] Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?
Andrada, Diego M.
Foroutan-Nejad, Cina
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (39) : 22459 - 22464
[3] Dative and Electron-Sharing Bonding in C2F4
Andrada, Diego M.
Luis Casals-Sainz, Jose
Martin Pendas, Angel
Frenking, Gernot
[J]. CHEMISTRY-A EUROPEAN JOURNAL, 2018, 24 (36) : 9083 - 9089
[4] Stabilization of Heterodiatomic SiC Through Ligand Donation: Theoretical Investigation of SiC(L)2 (L = NHCMe, CAACMe, PMe3)
Andrada, Diego M.
Frenking, Gernot
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (42) : 12319 - 12324
[5] [Anonymous], NIST ATOMIC SPECTRA
[6] Arrowsmith M, 2016, NAT CHEM, V8, P890, DOI [10.1038/NCHEM.2542, 10.1038/nchem.2542]
[7] Electronegativity and molecular properties
Bergmann, D
Hinze, J
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1996, 35 (02) : 150 - 163
[8] Clarifying notes on the bonding analysis adopted by the energy decomposition analysis
Bickelhaupt, F. Matthias
Guerra, Celia Fonseca
Mitoraj, Mariusz
Sagan, F.
Michalak, Artur
Pan, Sudip
Frenking, Gernot
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (26) : 15726 - 15735
[9] Octacarbonyl Ion Complexes of Actinides [An(CO)8]+/- (An=Th, U) and the Role of f Orbitals in Metal-Ligand Bonding
Chi, Chaoxian
Pan, Sudip
Jin, Jiaye
Meng, Luyan
Luo, Mingbiao
Zhao, Lili
Zhou, Mingfei
Frenking, Gernot
[J]. CHEMISTRY-A EUROPEAN JOURNAL, 2019, 25 (50) : 11772 - 11784
[10] Complex Featuring Two Double Dative Bonds Between Carbon(0) and Uranium
Fang, Wei
Pan, Sudip
Su, Wei
Wang, Shuao
Zhao, Lili
Frenking, Gernot
Zhu, Congqing
[J]. CCS CHEMISTRY, 2022, 4 (06): : 1921 - 1929

← 1 2 3 4 5 →