Two p-electrons are left to form the second bond, a π-bond, in a double bond. The method therefore proposes a π-bond and a π-bond together forming the double bond. Figure 4 shows ethylene before (a) and after (b) the formation of the π-bond....
whereas electrochemical steps are indicated by solid lines. Steps with a barrier higher than 1.0 eV are marked with a doubled bar line (||) and considered
Compared to H2-assisted activation mode, the direct dissociation of CO2 into carbonyl (*CO) with a simplified reaction route is advantageous for CO2-related synthetic processes and catalyst upgrading, while the stable C = O double bond makes it very challenging. Herein, we construct a subna...
It is found that the resonance between the π electrons on the CX double bond and the nitrogen lone pair significantly stabilizes the planar conformation in HCXNH2 (X = O, NH, CH2, S, and Se). The absolute resonance energy follows the order of formamide < thioformamide < selenoformamide,...
The bond length determined by X-ray (1.806(2) Å) was greater than the shortest non-bonded intramolecular C…C contact (1.80(2) Å). The assumed limit for a C–C bond (1.803 Å) by supposing linear correlation between bond length and bond-dissociation energy for covalent bonding was...
Bond energy is the energy needed to break the bonds between atoms in a molecule. The molecule or a compound may have single (C-C), double (C=C), or triple (C ≡ C) covalent bonds. Compounds can also be formed by the sharing or...
Here, we investigate the breakage of this bond induced by low-energy (<10 eV) electrons. We show the production of the chlorine anion via a resonant process at different energies. The experimental observations are completed by quantum chemistry calculations of the involved molecular orbitals in ...
Oxygen evolution reaction is a momentous part of electrochemical energy storage and conversion devices such as rechargeable metal–air batteries. It is particularly urgent to develop low-cost and efficient electrocatalysts for oxygen evolution reactions.
Our previous IR studies as well as quantum chemical DFT calculations evidenced that Cu + ions in zeolites were able to activate C C double bond in alkenes by 蟺 back donation of d electrons of Cu + to 蟺 * antibonding orbitals of alkenes. It resulted in a distinct weakening of C C ...
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