Zobrazeno 1 - 10 of 128 pro vyhledávání: '"Ernest W. Della"'
1
Experimental and DFT studies on the transmission mechanisms of analogous NMRJCH andJCC couplings in 1-X- and 1-X-3-methylbicyclo[1.1.1]-pentanes
Autor: Angel L. Esteban, Ernesto Díez, Ernest W. Della, Cláudio F. Tormena, Ian J. Lochert, Rubén H. Contreras
Publikováno v: Magnetic Resonance in Chemistry. 45:572-577
The main aim of this work is to compare the transmission mechanisms for the Fermi contact term of spin-spin couplings, SSCCs, in series 1-X-bicyclo[1.1.1]-pentane, (1), and 1-X-3-methylbicyclo[1.1.1]pentane, (2), and from that comparison to gain insi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::926e940a87eb65a233c7d9b46b9815b1
https://doi.org/10.1002/mrc.2009
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2
Experimental and Theoretical Study of Hyperconjugative Interaction Effects on NMR 1JCH Scalar Couplings
Autor: Ernesto Díez, Angel L. Esteban, Ian J. Lochert, Rubén H. Contreras, Ernest W. Della, Cláudio F. Tormena, Francisco P. dos Santos
Publikováno v: The Journal of Physical Chemistry A. 110:4266-4275
Hyperconjugative and electrostatic interactions effects on 1J(CH) spin-spin coupling constants (SSCCs) are critically studied from both theoretical and experimental points of view. A qualitative model is used to predict how the former affect such SSC
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64d58843d6ab310342c381053eef9dc4
https://doi.org/10.1021/jp0555201
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3
Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: a DFT and experimental study
Autor: Nicholas J. Head, Ernesto Díez, Rubén H. Contreras, Angel L. Esteban, Ernest W. Della
Publikováno v: Molecular Physics. 104:485-492
In order to get insight into transmission mechanisms of the title spin–spin coupling constants, nJ(C, F1) couplings (n = 4, 5) were calculated at the DFT-B3LYP-6-311-G**/EPR-III level, and couplings were measured in 9 members of the series 1-F,4-X-
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fc62df1ffebeb108f1a904f1a65e398c
https://doi.org/10.1080/00268970500276499
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4
The enormous apparent gas-phase acidity of cubylamine
Autor: Ibon Alkorta, Peeter Burk, Esther Quintanilla, Ivar Koppel, José-Luis M. Abboud, Ilmar A. Koppel, Ernest W. Della, Juan Z. Dávalos
Publikováno v: Chemical Physics Letters. 398:560-563
The high acidity of cubylamine ( 1 NH 2 ) seems to originate in the release of strain energy attending the breaking of some C–C bonds in 1 NH − . This process is greatly facilitated by the strong stereoelectronic interactions in 1 NH − . The an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3cfb0accf3fe0d003833f61cabb68d3e
https://doi.org/10.1016/j.cplett.2004.09.127
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6
The role of the ester group in determining the regiochemistry of selected β-amino and β-ammonio radical cyclisations: generation of 1-azabicyclo[3.2.1]octyl- and -[2.2.2]octyl systems
Autor: Ernest W. Della, Paul A. Smith
Publikováno v: Journal of the Chemical Society, Perkin Transactions 1. :445-452
A comparison of the behaviour of the 2-(1,2,5,6-tetrahydro-3-methoxycarbonyl-1-pyridyl)ethyl radical and its quaternary N-methyl derivative shows that the latter is more conducive to cyclisation. These reactions display little regioselectivity, and s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::df9d6e8d36c9032c894a1c9130902f71
https://doi.org/10.1039/b006691p
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7
Ring closure of 2-thia- and 2-sulfonyl-5-hexenyl radicals
Autor: Sean D. Graney, Ernest W. Della
Publikováno v: Tetrahedron Letters. 41:7987-7990
Reductive cyclisation of the 2-sulfonyl-5-hexenyl radical with tributyltin hydride in benzene at 80°C affords a 73:23 mixture of the sulfones derived from 5-exo- and 6-endo- ring closure with a small quantity (4%) of reduced material; under identica
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b5948732e99cf3094c164a8a120c1bcf
https://doi.org/10.1016/s0040-4039(00)01377-0
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8
Intramolecular Cyclization of β-Amino and β-Ammonio Radicals: A New Synthetic Route to the 1-Azabicyclo[3.2.1]octyl- and -[2.2.1]heptyl Systems
Autor: Paul A. Smith, Ernest W. Della
Publikováno v: The Journal of Organic Chemistry. 65:6627-6633
Treatment of 1-(2-phenylselenoethyl)-1,2,5,6-tetrahydropyridine (15) with tributyltin hydride affords only the product of reduction, demonstrating the reluctance of the 5-hexenyl radical 9 to undergo ring closure. When the nature of the radical is mo
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9921ba3ee46b25e9960f48f7f82ed38f
https://doi.org/10.1021/jo000790v
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9
A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes
Autor: Rubén H. Contreras, Ernest W. Della, Ian J. Lochert, Juan E. Peralta
Publikováno v: Magnetic Resonance in Chemistry. 38:395-402
The 13C NMR spectra of 24 members of a series of 1-X-bicyclo[1.1.1]pentanes were measured. SCSs on 13C1 were found to linearly correlated with those on 13C3, although the former correspond to deshielding effects and the latter to shielding effects. E
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a1de642127cc53e37659a536412ff335
https://doi.org/10.1002/1097-458x(200006)38:6<395::aid-mrc656>3.0.co
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