Abnormal C5-Bound N-Heterocyclic Carbenes:  Extremely Strong Electron Donor Ligands and Their Iridium(I) and Iridium(III) Complexes

2004 ◽  
Vol 23 (10) ◽  
pp. 2461-2468 ◽  
Author(s):  
Anthony R. Chianese ◽  
Anes Kovacevic ◽  
Brian M. Zeglis ◽  
J. W. Faller ◽  
Robert H. Crabtree
Keyword(s):  
Electron Donor ◽  
Heterocyclic Carbenes ◽  
Donor Ligands ◽  
Strong Electron

scholarly journals Six-Membered N-Heterocyclic Carbenes with a 1,1′-Ferrocenediyl Backbone: Bulky Ligands with Strong Electron-Donor Capacity and Unusual Non-Innocent Character

2009 ◽  
Vol 2009 (31) ◽  
pp. 4607-4612 ◽  
Author(s):  
Ulrich Siemeling ◽  
Christian Färber ◽  
Michael Leibold ◽  
Clemens Bruhn ◽  
Philipp Mücke ◽  
...  
Keyword(s):  
Electron Donor ◽  
Heterocyclic Carbenes ◽  
Strong Electron ◽  
Donor Capacity ◽  
Bulky Ligands

Dative behavior of N-heterocyclic carbenes (NHCs) with selenium in Se-NHC compounds

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Munazzah Yaqoob ◽  
Mahvish Abbasi ◽  
Hira Anwar ◽  
Javed Iqbal ◽  
Mohammad Asad ◽  
...  
Keyword(s):  
Nitrogen Atom ◽  
Carbon Atom ◽  
Lone Pair ◽  
Heterocyclic Ring ◽  
Heterocyclic Carbenes ◽  
The Other ◽  
Donor Ligands ◽  
Important Research ◽  
Dative Bond ◽  
Back Bonding

Abstract N-heterocyclic carbenes (NHCs) are an eminent class of carbenes having a heterocyclic ring in which a divalent carbon atom is attached directly to a nitrogen atom. In the NHCs, the donation of lone pair is another important research in the dative bonding and not only in NHCs the dative bond plays a functionalized role in the other classes of complex formation like ylidones L → E ← L and carbones L → C ← L. M–NHC bond is L-M sigma-dative bond and NHCs are considered as strong sigma-donor ligands. The clear picture of the M–NHC bond can be better understood by M–NHC pi-interaction. M-L pi interaction is comprised of two steps. One is L → M sigma-donation and M → L π* back bonding. This dative donor nature of NHC and also its behavior in organoselenium is studied through DFT in which it’s optimized structure, bond lengths, molecular vibrations are calculated.

Complex Formation of Strong Electron Donor: 1,3,6,8-Tetrakis(Dimethylamino)Pyrene

2002 ◽  
Vol 376 (1) ◽  
pp. 213-218
Author(s):  
Kazukuni Nishimura ◽  
Seiji Hirate ◽  
Gunzi Saito
Keyword(s):  
Complex Formation ◽  
Electron Donor ◽  
Strong Electron

Reactions of the lightly-stabilized triosmium cluster Os3(CO)8{μ3-Ph2PCH(Me)P(Ph)C6H4}(μ-H) with two-electron donor ligands

Polyhedron ◽  
2020 ◽  
Vol 186 ◽  
pp. 114608 ◽  
Author(s):  
Jagodish C. Sarker ◽  
Saifur Rahman ◽  
Shishir Ghosh ◽  
Graeme Hogarth ◽  
Shariff E. Kabir
Keyword(s):  
Electron Donor ◽  
Donor Ligands ◽  
Triosmium Cluster

scholarly journals Comparison of Chemical and Interpretative Methods: The Carbon-boron π-Bond as a Test Case

2020 ◽  
Author(s):  
Radhika Gupta ◽  
Elixabete Rezabal ◽  
Golshid Hasrack ◽  
Camille Noûs ◽  
Gilles Frison
Keyword(s):  
Bond Strength ◽  
Bond Length ◽  
Quantum Chemical ◽  
Chemical Properties ◽  
Heterocyclic Carbenes ◽  
Energy Partitioning ◽  
Donor Ligands ◽  
Test Case ◽  
Topological Methods ◽  
Pi Interactions

Quantum chemical calculations using DFT and NBO, ETS-NOCV, QTAIM and ELF interpretative approaches have been carried out on <b>X</b>-BH<sub>2</sub><sup>+</sup> borenium complexes for 39 divalent C-donor ligands <b>X</b> including various N-heterocyclic carbenes and carbones. The C-B bond length and the barrier of rotation around the C-B bond were calculated and compared with various descriptors of the C-B pi-bond strength obtained from the orbital localization, energy partitioning or topological methods. Two families of descriptors emerged: <i>intrinsic</i> indicators, which measure the intensity of the pi-bond in the investigated molecule, and <i>relative</i> indicators, among them the rotational barrier, which compare the studied molecule with its conformer in which the pi-interaction is prevented. <i>Relative</i> indicators are influenced by other interactions in addition to purely pi-interactions. For both families of descriptors, excellent correlations are obtained, showing that the interpretative methods, despite their conceptual differences, describe the same chemical properties. These results also reveal noticeable shortcomings in these methods, and some precautions that need to be taken to interpret their results adequately.<br>

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