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Charles E Strouse - One of the best experts on this subject based on the ideXlab platform.
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 110 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Hackett C Bushweller, Marianne P Byrn, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 11 0 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Marianne P Byrn, C H Bushweller, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
Gordon W Gribble - One of the best experts on this subject based on the ideXlab platform.
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 110 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Hackett C Bushweller, Marianne P Byrn, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 11 0 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Marianne P Byrn, C H Bushweller, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
Marianne P Byrn - One of the best experts on this subject based on the ideXlab platform.
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 110 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Hackett C Bushweller, Marianne P Byrn, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 11 0 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Marianne P Byrn, C H Bushweller, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
Jay H Brown - One of the best experts on this subject based on the ideXlab platform.
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 110 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Hackett C Bushweller, Marianne P Byrn, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 11 0 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Marianne P Byrn, C H Bushweller, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
Jessica L Dion - One of the best experts on this subject based on the ideXlab platform.
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 110 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Hackett C Bushweller, Marianne P Byrn, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...
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stereodynamics of 9 11 diphenyl 10 azatetracyclo 6 3 0 0 4 11 0 5 9 undecanes highly restricted Nitrogen Inversion and isolated phenyl rotation x ray crystallographic dynamic nmr and molecular mechanics studies
Journal of Organic Chemistry, 1996Co-Authors: Gordon W Gribble, Frank L Switzer, John H Bushweller, John G Jewett, Jay H Brown, Jessica L Dion, Marianne P Byrn, C H Bushweller, Charles E StrouseAbstract:The 1H NMR spectra of 10-benzyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (BnPh2) and 10-methyl-9,11-diphenyl-10-azatetracyclo[6.3.0.0.4,110.5,9]undecane (MePh2) decoalesce due to slowing Inversion at Nitrogen and to slowing isolated bridgehead phenyl rotation. The high Nitrogen Inversion barriers in MePh2 (ΔG⧧ = 12.2 ± 0.1 kcal/mol at 250 K) and BnPh2 (ΔG⧧ = 10.6 ± 0.1 kcal/mol at 215 K) are typical of tertiary amines in which at least one C−N−C bond angle is constrained to a small value. Compared to the minuscule rotation barriers about sp2−sp3 carbon−carbon bonds in simple molecular systems, the bridgehead phenyl rotation barriers in MePh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) and BnPh2 (ΔG⧧ = 9.8 ± 0.1 kcal/mol at 210 K) are unusually high. Molecular mechanics calculations (MMX force field) suggest that the origin of the high phenyl rotation barriers lies in the close passage of an o-phenyl proton and a methyl (or benzylmethylene) proton in the transition state. BnPh2 crystallized from h...