A kinetic investigation, supported by theoretical calculations, of steric and ring strain effects on the oxidation of sulfides and sulfoxides by dimethyldioxirane in acetone

2010 ◽  
Vol 34 (1) ◽  
pp. 65-84 ◽  
Author(s):  
Peter Hanson ◽  
Ramon A. A. J. Hendrickx ◽  
John R. Lindsay Smith
Keyword(s):  
Theoretical Calculations ◽  
Kinetic Investigation ◽  
Strain Effects ◽  
Ring Strain ◽  
Oxidation Of Sulfides

Ring strain effects. IV. Electron spin resonance study of the radical anions of a series of strained naphthalene hydrocarbons

1974 ◽  
Vol 39 (15) ◽  
pp. 2276-2281 ◽  
Author(s):  
Reuben D. Rieke ◽  
Stephen E. Bales ◽  
Claude F. Meares ◽  
Loretta I. Rieke ◽  
Charles M. Milliren
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Electron Spin Resonance Study ◽  
Radical Anions ◽  
Strain Effects ◽  
Ring Strain ◽  
Spin Resonance ◽  
Spin Resonance Study

scholarly journals Quantum Chemical Calculations on CHOP Derivatives—Spanning the Chemical Space of Phosphinidenes, Phosphaketenes, Oxaphosphirenes, and COP− Isomers

Molecules ◽  
2018 ◽  
Vol 23 (12) ◽  
pp. 3341 ◽  
Author(s):  
Alicia Rey ◽  
Arturo Espinosa Ferao ◽  
Rainer Streubel
Keyword(s):  
Potential Energy Surfaces ◽  
Chemical Space ◽  
Theoretical Calculations ◽  
Kinetic Energy Density ◽  
Ring Strain ◽  
Starting Point ◽  
Time Calculation ◽  
Bonding Properties ◽  
Anionic Ring ◽  
Energy Surfaces

After many decades of intense research in low-coordinate phosphorus chemistry, the advent of Na[OCP] brought new stimuli to the field of CHOP isomers and derivatives thereof. The present theoretical study at the CCSD(T)/def2-TZVPP level describes the chemical space of CHOP isomers in terms of structures and potential energy surfaces, using oxaphosphirene as the starting point, but also covering substituted derivatives and COP− isomers. Bonding properties of the P–C, P–O, and C–O bonds in all neutral and anionic isomeric species are discussed on the basis of theoretical calculations using various bond strengths descriptors such as WBI and MBO, but also the Lagrangian kinetic energy density per electron as well as relaxed force constants. Ring strain energies of the superstrained 1H-oxaphosphirene and its barely strained oxaphosphirane-3-ylidene isomer were comparatively evaluated with homodesmotic and hyperhomodesmotic reactions. Furthermore, first time calculation of the ring strain energy of an anionic ring is described for the case of oxaphosphirenide.

Ring strain effects. III. Reduction and oxidation potential shifts

1971 ◽  
Vol 93 (8) ◽  
pp. 1962-1967 ◽  
Author(s):  
Reuben D. Rieke ◽  
William E. Rich ◽  
Thomas H. Ridgway
Keyword(s):  
Oxidation Potential ◽  
Strain Effects ◽  
Ring Strain ◽  
Reduction And Oxidation ◽  
Potential Shifts

Ring Strain Effects in Enyne-Allene Thermolysis: Switch from the Myers-Saito Reaction to the C2-C6 Biradical Cyclization

1997 ◽  
Vol 38 (35) ◽  
pp. 6177-6180 ◽  
Author(s):  
Michael Schmittel ◽  
Jens-Peter Steffen ◽  
Dominik Auer ◽  
Michael Maywald
Keyword(s):  
Strain Effects ◽  
Ring Strain

Ring-strain effects on the oxidation potential of enediynes and enediyne complexes

2003 ◽  
Vol 1 (5) ◽  
pp. 763-766 ◽  
Author(s):  
Kim K. Baldridge ◽  
Bernadette T. Donovan-Merkert ◽  
Joseph M. O'Connor ◽  
Linda I. Lee ◽  
Adam Closson ◽  
...  
Keyword(s):  
Oxidation Potential ◽  
Strain Effects ◽  
Ring Strain

On the Extent of Transannular Rearrangement in the Formolysis of 1,5-Cyclooctadiene Monoepoxide

1972 ◽  
Vol 50 (13) ◽  
pp. 2152-2155 ◽  
Author(s):  
John M. McIntosh
Keyword(s):  
Strain Effects ◽  
Ring Strain ◽  
The Difference

Formolysis of 1,5-cyclooctadiene monoepoxide (1) has been shown to give only ca. 25% of products of transannular reactions. The difference between this result and those from the solvolyses of cyclooctene oxide and 4-cyclooctenyl brosylate is attributed to conformational and ring-strain effects.

Kinetics of Peroxyradical Attack at Cyclic Hydrocarbons: Ring-strain effects on H-abstraction

1995 ◽  
Vol 337 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ralf Harnisch ◽  
Gerlinde Lauterbach ◽  
Wilhelm Pritzkow
Keyword(s):  
Strain Effects ◽  
Ring Strain ◽  
Cyclic Hydrocarbons ◽  
Kinetics Of
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