Home / Publications / Trends in ionization energies for group 14 catenates and influence of substituent nature on them

Trends in ionization energies for group 14 catenates and influence of substituent nature on them

Andrei Vitalievich Lalov 1
Andrei Vitalievich Lalov
, 
Anna Ya Akyeva 1
Anna Ya Akyeva
, 
Mikhail Petrovich Egorov 1
Mikhail Petrovich Egorov
, 
Mikhail Aleksandrovich Syroeshkin 1
Mikhail Aleksandrovich Syroeshkin
10.1016/j.mencom.2023.10.002
Published 2023-10-18
Communication , Volume 33, Issue 6, 746-749
0
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Lalov A. V. et al. Trends in ionization energies for group 14 catenates and influence of substituent nature on them // Mendeleev Communications. 2023. Vol. 33. No. 6. pp. 746-749.
GOST all authors (up to 50) Copy
Lalov A. V., Akyeva A. Ya., Egorov M. P., Syroeshkin M. A. Trends in ionization energies for group 14 catenates and influence of substituent nature on them // Mendeleev Communications. 2023. Vol. 33. No. 6. pp. 746-749.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2023.10.002
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.10.002
TI - Trends in ionization energies for group 14 catenates and influence of substituent nature on them
T2 - Mendeleev Communications
AU - Lalov, Andrei Vitalievich
AU - Akyeva, Anna Ya
AU - Egorov, Mikhail Petrovich
AU - Syroeshkin, Mikhail Aleksandrovich
PY - 2023
DA - 2023/10/18
PB - Mendeleev Communications
SP - 746-749
IS - 6
VL - 33
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2023_Lalov,
author = {Andrei Vitalievich Lalov and Anna Ya Akyeva and Mikhail Petrovich Egorov and Mikhail Aleksandrovich Syroeshkin},
title = {Trends in ionization energies for group 14 catenates and influence of substituent nature on them},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.10.002},
number = {6},
pages = {746--749},
doi = {10.1016/j.mencom.2023.10.002}
}
MLA
Cite this
MLA Copy
Lalov, Andrei Vitalievich, et al. “Trends in ionization energies for group 14 catenates and influence of substituent nature on them.” Mendeleev Communications, vol. 33, no. 6, Oct. 2023, pp. 746-749. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.10.002.

Keywords

carbon family
catenation
group 14 chemistry and reactivity
ionization energy
radical cations.

Abstract

Adiabatic ionization energies for a series of acyclic and cyclic compounds containing M-M and M=M (M = C, Si, Ge, and Sn) bonds were calculated using DFT-TPSS/D3/def2-TZVPP and DFT-PBE0-DH/def2-TZVPP. Their changes when moving down group 14, as well as the influence of the substituent nature on them, were discussed.

References

.
The Structure of Fractionally Charged Tetracyanobenzenen− Present in [TCNB]32−
Bagnato J.D., Shum W.W., Strohmeier M., Grant D.M., Arif A.M., Miller J.S.
Angewandte Chemie - International Edition, 2006
.
O,N-Heterocyclic germylenes as efficient catalysts for hydroboration and cyanosilylation of benzaldehyde
Arsenyeva K.V., Pashanova K.I., Trofimova O.Y., Ershova I.V., Chegerev M.G., Starikova A.A., Cherkasov A.V., Syroeshkin M.A., Kozmenkova A.Y., Piskunov A.V.
New Journal of Chemistry, 2021
.
Tricoordinate silyl cations (silylium ions)
Lee V.Y.
Russian Chemical Reviews, 2019
.
Silylium Ions: From Elusive Reactive Intermediates to Potent Catalysts
Klare H.F., Albers L., Süsse L., Keess S., Müller T., Oestreich M.
Chemical Reviews, 2021
.
The Role of Ligands in Oxidative Addition Chemistry of Low-Valent Main Group Derivatives: Not Only Stabilization but Also Activation
Shangin P.G., Akyeva A.Y., Vakhrusheva D.M., Minyaev M.E., Mankaev B.N., Balycheva V.A., Lalov A.V., Egorov M.P., Karlov S.S., Syroeshkin M.A.
Organometallics, 2023
.
Charge-transfer spectra of permethylated polygermanes-TCNE to afford 1:1 adducts
Mochida K., Hodota C., Hata R., Fukuzumi S.
Organometallics, 1993
.
Formation of 1,2,3,6-dioxadigermine in the electron-transfer oxygenation of 1,2-digermetene
Ando W., Kako M., Akasaka T.
Journal of the Chemical Society Chemical Communications, 1992
.
A practical anodic oxidation of aminofurazans to azofurazans: an environmentally friendly route
Sheremetev A.B., Lyalin B.V., Kozeev A.M., Palysaeva N.V., Struchkova M.I., Suponitsky K.Y.
RSC Advances, 2015
.
Catalysis by electrons and holes: formal potential scales and preparative organic electrochemistry
Luca O.R., Gustafson J.L., Maddox S.M., Fenwick A.Q., Smith D.C.
Organic Chemistry Frontiers, 2015
.
The ORCA quantum chemistry program package
Neese F., Wennmohs F., Becker U., Riplinger C.
Journal of Chemical Physics, 2020
.
Twist of a Silicon–Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene
Wendel D., Szilvási T., Jandl C., Inoue S., Rieger B.
Journal of the American Chemical Society, 2017
.
Remote Stereoelectronic Effects in Pyrrolidone- and Caprolactam-Substituted Phenols: Discrepancies in Antioxidant Properties Evaluated by Electrochemical Oxidation and H-Atom Transfer Reactivity
Akyeva A.Y., Kansuzyan A.V., Vukich K.S., Kuhn L., Saverina E.A., Minyaev M.E., Pechennikov V.M., Egorov M.P., Alabugin I.V., Vorobyev S.V., Syroeshkin M.A.
Journal of Organic Chemistry, 2022
.
The Redox Properties of Germylenes Stabilized by N‐Donor Ligands
Kozmenkova A.Y., Timofeeva V.A., Mankaev B.N., Lalov A.V., Saverina E.A., Egorov M.P., Karlov S.S., Syroeshkin M.A.
European Journal of Inorganic Chemistry, 2021
.
Synthesis and redox properties of imidazol-2-yl-substituted nitronyl nitroxides
Fedyushin P.A., Zayakin I.A., Tolstikov S.E., Lalov A.V., Akyeva A.Y., Syroeshkin M.A., Romanenko G.V., Tretyakov E.V., Egorov M.P., Ovcharenko V.I.
Russian Chemical Bulletin, 2022
.
Unusual geometries in main group chemistry
Bouhadir G., Bourissou D.
Chemical Society Reviews, 2004
.
Second order Jahn–Teller interactions at unusually high molecular orbital energy separations
Wedler H.B., Wendelboe P., Tantillo D.J., Power P.P.
Dalton Transactions, 2020
.
Planarity of the carbon skeleton in various alkylated olefins
Robin M.B., Taylor G.N., Kuebler N.A., Bach R.D.
Journal of Organic Chemistry, 1973
.
Mass spectra of disilanes. Phenyl-silicon interaction and silicon-silicon bond strength
Gaidis J.M., Briggs P.R., Shannon T.W.
The Journal of Physical Chemistry, 1971
.
Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes
Wiberg K.B., Ellison G.B., Wendoloski J.J., Brundle C.R., Kuebler N.A.
Journal of the American Chemical Society, 1976
.
Photoelectron spectra of sterically congested alkenes and dienes
Mollere P.D., Houk K.N., Bomse D.S., Morton T.H.
Journal of the American Chemical Society, 1976
.
Photoelectron spectra and molecular properties. LI. Ionization potentials of silanes SinH2n+2
Bock H., Ensslin W., Feher F., Freund R.
Journal of the American Chemical Society, 1976
.
Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
Perdew J.P., Ruzsinszky A., Csonka G.I., Constantin L.A., Sun J.
Physical Review Letters, 2009
.
UV Photoelectron Spectra of Peralkylated Catenates of Group 4B Elements (Silicon, Germanium, and Tin)
Mochida K., Worley S.D., Kochi J.K.
Bulletin of the Chemical Society of Japan, 1985
.
Photoelectron spectra of some simple fluorosilanes
Cradock S., Ebsworth E.A., Whiteford R.A.
Journal of the Chemical Society Dalton Transactions, 1973
.
Valence Ionization Energies of Hydrocarbons
Bieri G., Burger F., Heilbronner E., Maier J.P.
Helvetica Chimica Acta, 1977
.
Ultraviolet photoelectron spectra of group IV hexamethyl derivatives containing a metal-metal bond
Szepes L., Korányi T., Náray-Szabó G., Modelli A., Distefano G.
Journal of Organometallic Chemistry, 1981
.
The fragmentation of C2F6+
Inghram M.G., Hanson G.R., Stockbauer R.
International Journal of Mass Spectrometry and Ion Physics, 1980
.
Photoelectron Spectra of Ethylene and Ethylene‐d4
Branton G.R., Frost D.C., Makita T., McDowell C.A., Stenhouse I.A.
Journal of Chemical Physics, 1970
.
Germanium‐centered Ion Radicals
Egorov M.P., Jouikov V.V., Nikolaevskaya E.N., Syroeshkin M.A.
2023