Home / Publications / Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study

Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study

Nikita Mikhailovich Ankudinov 1, 2
Nikita Mikhailovich Ankudinov
, 
Dmitrii Sergeevich Perekalin 2, 3
Dmitrii Sergeevich Perekalin
10.1016/j.mencom.2019.05.007
Published 2019-04-26
Communication , Volume 29, Issue 3, 263-265
4
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Ankudinov N. M., Perekalin D. S. Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 263-265.
GOST all authors (up to 50) Copy
Ankudinov N. M., Perekalin D. S. Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 263-265.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2019.05.007
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.007
TI - Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study
T2 - Mendeleev Communications
AU - Ankudinov, Nikita Mikhailovich
AU - Perekalin, Dmitrii Sergeevich
PY - 2019
DA - 2019/04/26
PB - Mendeleev Communications
SP - 263-265
IS - 3
VL - 29
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2019_Ankudinov,
author = {Nikita Mikhailovich Ankudinov and Dmitrii Sergeevich Perekalin},
title = {Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study},
journal = {Mendeleev Communications},
year = {2019},
volume = {29},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.007},
number = {3},
pages = {263--265},
doi = {10.1016/j.mencom.2019.05.007}
}
MLA
Cite this
MLA Copy
Ankudinov, Nikita Mikhailovich, and Dmitrii Sergeevich Perekalin. “Cyclobutadiene nickel complex as a catalyst for CH-activation reactions: computational study.” Mendeleev Communications, vol. 29, no. 3, Apr. 2019, pp. 263-265. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.007.

Abstract

DFT calculations suggest that, similarly to the classical [CpRhCl2]2 catalyst, the isolobal cyclobutadiene nickel complex [(C4Me4)NiCl2]2 can promote CH-activation of arenes (activation barrier is about 30kcalmol−1).

References

1.
A comprehensive overview of directing groups applied in metal-catalysed C–H functionalisation chemistry
Sambiagio C., Schönbauer D., Blieck R., Dao-Huy T., Pototschnig G., Schaaf P., Wiesinger T., Zia M.F., Wencel-Delord J., Besset T., Maes B.U., Schnürch M.
Chemical Society Reviews, 2018
5.
High-Valent Cobalt-Catalyzed C H Bond Functionalization
Yoshino T., Matsunaga S.
Advances in Organometallic Chemistry, 2017
7.
C–H functionalization by high-valent Cp*Co(iii) catalysis
Wang S., Chen S., Yu X.
Chemical Communications, 2017
8.
Kuvshinova S.S., Smol’yakov A.F., Vorobyeva D.V., Osipov S.N., Loginov D.A.
Mendeleev Communications, 2018
10.
Nickel-catalyzed C−H bond Alkoxylation of Amides with Alcohols
Rajesh N., Sundararaju B.
Asian Journal of Organic Chemistry, 2018
12.
Nickel-Catalyzed Direct Amination of Arenes with Alkylamines
Yan Q., Chen Z., Yu W., Yin H., Liu Z., Zhang Y.
Organic Letters, 2015
14.
A Planar‐Chiral Rhodium(III) Catalyst with a Sterically Demanding Cyclopentadienyl Ligand and Its Application in the Enantioselective Synthesis of Dihydroisoquinolones
Trifonova E.A., Ankudinov N.M., Mikhaylov A.A., Chusov D.A., Nelyubina Y.V., Perekalin D.S.
Angewandte Chemie - International Edition, 2018
15.
Rhodium(III) Complex with a Bulky Cyclopentadienyl Ligand as a Catalyst for Regioselective Synthesis of Dihydroisoquinolones through C−H Activation of Arylhydroxamic Acids
Trifonova E.A., Ankudinov N.M., Kozlov M.V., Sharipov M.Y., Nelyubina Y.V., Perekalin D.S.
Chemistry - A European Journal, 2018
16.
Cyclobutadienemetal complexes
Efraty A.
Chemical Reviews, 1977
18.
Cyclobutadiene complexes of platinum metals
Shvydkiy N.V., Perekalin D.S.
Coordination Chemistry Reviews, 2017
19.
Insertion of carbenoids into X-H bonds catalyzed by the cyclobutadiene rhodium complexes
Loskutova N.L., Shvydkiy N.V., Nelyubina Y.V., Perekalin D.S.
Journal of Organometallic Chemistry, 2018
20.
Cyclobutadiene Metal Complexes: A New Class of Highly Selective Catalysts. An Application to Direct Reductive Amination
Afanasyev O.I., Tsygankov A.A., Usanov D.L., Perekalin D.S., Shvydkiy N.V., Maleev V.I., Kudinov A.R., Chusov D.
ACS Catalysis, 2016
21.
Cyclobutadiene Arene Complexes of Rhodium and Iridium
Shvydkiy N.V., Trifonova E.A., Shved A.M., Nelyubina Y.V., Chusov D., Perekalin D.S., Kudinov A.R.
Organometallics, 2016
22.
General Route to Cyclobutadiene Rhodium Complexes
Perekalin D.S., Shvydkiy N.V., Nelyubina Y.V., Kudinov A.R.
Chemistry - A European Journal, 2015
24.
Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical
Craig P.R., Havlas Z., Trujillo M., Rempala P., Kirby J.P., Miller J.R., Noll B.C., Michl J.
Journal of Physical Chemistry A, 2016
25.
Ein Derivat des Cyclobutadiens
Criegee R., Schröder G.
Justus Liebig s Annalen der Chemie, 1959
27.
Rhodium(III)-catalyzed heterocycle synthesis using an internal oxidant: improved reactivity and mechanistic studies.
Guimond N., Gorelsky S.I., Fagnou K.
Journal of the American Chemical Society, 2011
31.
HFIP-Assisted C−H Functionalization by Cp*CoIII : Access to Key Reactive Cobaltacycles and Implication in Catalysis
Sanjosé-Orduna J., Sarria Toro J.M., Pérez-Temprano M.H.
Angewandte Chemie - International Edition, 2018
35.
Normal and anomalous ring opening of 1-3-.eta.-pentaarylcyclobutenylpalladium complexes
Taylor S.H., Maitlis P.M.
Journal of the American Chemical Society, 1978
36.
Tetraphenylcyclobutadiene-Platinum Compounds
Canziani F., Chini P., Quarta A., Di Martino A.
Journal of Organometallic Chemistry, 1971