Attack of isocyanide and carbon monoxide on a bridging alkylidyne ligand at a ditungsten centre. Cleavage of the C–N and C–O triple bonds with respective formation of tungsten–imido and -oxo groups and concomitant addition of the carbon atom to the bridging alkylidyne carbon yielding a bridging σ-W1,η2-W2alkynyl ligand

1985 ◽  
pp. 1771-1773 ◽  
Author(s):  
Malcolm H. Chisholm ◽  
Joseph A. Heppert ◽  
John C. Huffman ◽  
William E. Streib
Keyword(s):  
Carbon Monoxide ◽  
Carbon Atom ◽  
Triple Bonds ◽  
Respective Formation

Carbon monoxide adsorption on carbon atom doped perfect and Stone–Wales defect single-walled boron nitride nanotubes: a DFT investigation

2014 ◽  
Vol 145 (5) ◽  
pp. 725-735 ◽  
Author(s):  
Chanukorn Tabtimsai ◽  
Acharaphon Nonsri ◽  
Nutthawan Gratoo ◽  
Nuttaya Massiri ◽  
Porntiva Suvanvapee ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Carbon Atom ◽  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Carbon Monoxide Adsorption ◽  
Wales Defect

scholarly journals (Z)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

IUCrData ◽  
2019 ◽  
Vol 4 (2) ◽  
Author(s):  
Yuika Onami ◽  
Budanur P. Siddaraju ◽  
Haleyur G. Anilkumar ◽  
Hemmige S. Yathirajan ◽  
Tomoyuki Haraguchi ◽  
...  
Keyword(s):  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Carbon Atom ◽  
Triple Bonds ◽  
Compound C ◽  
Pyrrole Derivative ◽  
Membered Heterocycle ◽  
Single Bonds ◽  
Asymmetric Carbon

The title compound, C19H12N2O3, obtained as an intermediate in the synthesis of a pyrrole derivative, is composed of a five-membered heterocycle with substituted groups via double or triple bonds as well as single bonds, without an asymmetric carbon atom. An intramolecular O—H...O link occurs. In the crystal, O—H...N hydrogen bonds link the molecules.

Tosyl-a-amino Acids. III. The Acid-catalysed Degradation of Tosyl-α-amino Acids and Derivatives

1963 ◽  
Vol 16 (5) ◽  
pp. 889 ◽  
Author(s):  
AF Beecham
Keyword(s):  
Amino Acids ◽  
Carbon Monoxide ◽  
Carbon Atom ◽  
Sulphuric Acid ◽  
Carbonyl Compound ◽  
Amino Acids And Derivatives ◽  
Relationship Of ◽  
The Relationship

Tosyl-α-amino acids, their chlorides and esters, evolve carbon monoxide when dissolved in concentrated sulphuric acid. Toluene-p-sulphonamide and a carbonyl compound are produced when water is added to the resulting solutions. The ease of degradation depends upon the nature of the substituents at the α-carbon atom. The relationship of these to similar degradations of substituted α-amino acids is discussed.

A new proposal for the electronic structure of carbon monoxide

2021 ◽  
Vol 34 (2) ◽  
pp. 193-200
Author(s):  
Stephan J. G. Gift
Keyword(s):  
Carbon Monoxide ◽  
Electronic Structure ◽  
Carbon Atom ◽  
Electronic Structures ◽  
Lone Electron Pair ◽  
Electron Pair ◽  
Cyanide Ion ◽  
Electron Transfer Mechanism ◽  
Pi Bonds ◽  
Sigma Bond

A new proposal for the electronic structure of carbon monoxide CO is presented. The approach involves the creation of an additional half-filled 2p orbital in the oxygen atom by the transfer of an electron from the filled 2p orbital to one of two half-filled hybridized <mml:math display="inline"> <mml:mrow> <mml:mn>2</mml:mn> <mml:mi>s</mml:mi> <mml:msub> <mml:mi>p</mml:mi> <mml:mi>z</mml:mi> </mml:msub> </mml:mrow> </mml:math> orbitals in the carbon atom. The result is a triple bond comprising one sigma bond and two pi bonds between C and O strengthened by an ionic bond contribution. The proposed structure accounts for many unusual features of the molecule CO including the observed direction of the dipole moment, which is considered anomalous based on the concept of electronegativity of the constituent atoms as well as the increased bond dissociation energy compared with isoelectronic nitrogen <mml:math display="inline"> <mml:mrow> <mml:msub> <mml:mi>N</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math> . It also provides a basis for the CO molecule being a stable ligand combining with transition metals using the lone electron pair in the filled <mml:math display="inline"> <mml:mrow> <mml:mn>2</mml:mn> <mml:mi>s</mml:mi> <mml:msub> <mml:mi>p</mml:mi> <mml:mi>z</mml:mi> </mml:msub> </mml:mrow> </mml:math> orbital of the carbon atom. The electron transfer mechanism is effectively applied to the isoelectronic compound boron monofluoride BF and predicts properties of the undetected isoelectronic molecule BeNe. Finally, the method proposes new electronic structures for the cyanide ion <mml:math display="inline"> <mml:mrow> <mml:mi>C</mml:mi> <mml:msup> <mml:mi>N</mml:mi> <mml:mo>−</mml:mo> </mml:msup> </mml:mrow> </mml:math> which resolves the long-standing puzzle of “charge reversal” on the molecule and the carbon monofluoride ion <mml:math display="inline"> <mml:mrow> <mml:mi>C</mml:mi> <mml:msup> <mml:mi>F</mml:mi> <mml:mo>+</mml:mo> </mml:msup> </mml:mrow> </mml:math> .

Density Functional Theoretical Study on the Mechanism of Alcoholysis of Acylpalladium(II) Complexes

2017 ◽  
Vol 42 (1) ◽  
pp. 52-61 ◽  
Author(s):  
Hamed Chegini ◽  
Ali Morsali ◽  
Mohammad Reza Bozorgmehr ◽  
S. Ali Beyramabadi
Keyword(s):  
Carbon Monoxide ◽  
Carbon Atom ◽  
Solvent Effects ◽  
Energy Barrier ◽  
Density Functional ◽  
Theoretical Study ◽  
Experimental Studies ◽  
Reductive Elimination ◽  
Rate Determining Step ◽  
Insertion Mechanism

The mechanism of alcoholysis of acylpalladium(II) complexes relevant to the alternating copolymerisation of ethene and carbon monoxide has been investigated theoretically in detail. The solvolysis of acylpalladium(II) complexes is an important step in palladium-catalysed reactions. Based on experimental studies, two mechanisms have been proposed for this process, which consist of a concerted reductive elimination and an insertion mechanism (reductive elimination via a Meisenheimer intermediate). Both mechanisms include deprotonating of an acylpalladium(II) complex and according to our calculations, any mechanism involving this step, has an energy barrier higher than that of the rate-determining step. We propose a new mechanism for the insertion in which proton transfer to Pd is simultaneous with an inner-sphere attack of the alkoxide ligand (OCH3) at the carbon atom of the palladium-bound carbonyl group (new Meisenheimer intermediate). Considering solvent effects, the activation energies of the two mechanisms and other contingent mechanisms were calculated and compared with each other and the experimental results.

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