Conic projection as manifold enable calculation dihedral θHnHn+1[deg] angles from differences between two atoms of carbon ΔδCnCn+1[ppm] in three steps or from only one atom of carbon δCn[ppm] in close relationships with tetrahedral φCn[deg] angles under 3-Sphere approach. Hopf fibration and Lie algebra ensuring calculation dihedral θHnHn+1[deg] angles from vicinal ϕ[deg] angle, angle results from vicinal coupling constant 3JHH[Hz]. Real Hopf fibration for calculation dihedral θHnHn+1[deg] angle in real space, and R16 octonionic Hopf fibration, double of quaternionic R7, for all cis, trans-ee, trans-aa stereochemistry, unreal space relative to calculated dihedral θHnHn+1[deg] angle. Continue “deformation”, homotopic behaviour h ⇆ h-1 characteristic for wave NMR data, probably a point of swich on Möbius band, in case of radius r of the cone inscribes on sphere at tangent point, calculated from height of cone h or inverse of height h-1, the tan function of h is equal with sin function of h-1. Dihedral θHnHn+1[deg] and tetrahedral φCn[deg] angles are from the trigonometric point of view under sin and tan function, or viceversa, homotopic behavior of NMR data under conic projection demonstrating that. Because the dihedral θHnHn+1[deg] angles are not found in first unit, for few vicinal coupling constants 3JHH[Hz], the rule accepted until now are explored taking in consideration other sets for building unit along the set C, respectively D, E and F, G, or vicinal angle ϕ[deg] with its three possible dihedral θHnHn+1[deg] angles in close relationships with tetrahedral φCn[deg] angles under seven sets unit. Building units through sets U or S calculated from sin or tan functions until calculated angles are almost equals with angles of unit U1 or S1, required long time for calculation.
| Published in | Science Journal of Chemistry (Volume 14, Issue 1) |
| DOI | 10.11648/j.sjc.20261401.12 |
| Page(s) | 12-24 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2026. Published by Science Publishing Group |
Conic Projection, Homotopy, 3-Sphere Dihedral Angles, Tetrahedral Angles, Vicinal Coupling Constant
Comp | 3JHHa [Hz] | Φ [deg] | ΔδCnCn+1 [gaussx10] | θAin [deg] | θAI1 [deg] | 1/h h [π] | r [π] | θAIIn [deg] | ϕ [deg] | 3JHnHn+1 [deg] | θHnHn+1 [deg] |
|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 4.1 | 67.24 | 0.755 | 39.11 | 20.88b | h-1: 0.934 | 0.381 | 22.43 | 67.56 | 4.109 | 22.43 |
16.81 | h: 1.0703 | 0.356 | 20.88b | 69.11b | 4.15 | 20.88 | |||||
5.4 | 116.64 | 0.022 | 88.71 | 28.71 | h-1: 0.877 | 0.547 | 33.219 | 116.78 | 5.40 | -26.78 | |
29.1 | -41.756 | ||||||||||
30.312 | |||||||||||
119.363 | 5.46 | -41.073c | |||||||||
28.715 | 5.35 | -33.219 | |||||||||
1.1402 | 0.4804 | 28.715 | 118.715 | 5.44 | -28.715 | ||||||
118.420 | 5.44 | -40.428c | |||||||||
0 | 0.515 | 58.97 | 1.024 | 0.999 | 0.0178 | 1.0247 | 1.02471 | 0.5060. | -88.97, -91.024 | ||
1.0001 | 0.0178 | 1.0246 | 0246 | 506 | -88.97, -91.024 | ||||||
2 | 3.1 | 38.44 | 0.3949 | 66.736 | 6.7366 | 0.993 | 0.1181 | 6.7837 | 38.69 | 3.11 | -53.216 |
9.61 | 40.24 | 3.17 | -32.861S3 | ||||||||
9.648 | 3.106 | -9.514d, US | |||||||||
9.648 | 3.106 | -9.788d, US | |||||||||
39.648 | 3.14 | 50.351US | |||||||||
1.0069 | 0.1173 | 6.7366 | 38.691 | 3.11 | -53.263 | ||||||
9.790 | 3.12 | -9.936 | |||||||||
9.70 | 3.12 | -9.936 | |||||||||
39.790 | 3.15 | 50.209 | |||||||||
3.9 | 60.84 | 0.0056 | 89.679 | 29.679 | 0.8688 | 0.5699 | 34.743 | 60.320 | 3.88 | -34.743 | |
15.21 | 62.530 | 3.95 | -41.581 | ||||||||
1.1509 | 0.4951 | 29.679 | 60.320 | 3.88 | 29.679 | ||||||
62.617 | 3.95 | -40.106 | |||||||||
15.160 | 3.89 | -14.655e | |||||||||
8.8 | 77.44 | 0.1372 | 82.110 | 22.110 | 0.9264 | 0.4062 | 23.971 | 78.014 | 8.82 | -167.74, -135.63 | |
309.76 | 1.07938 | 0.3764 | 22.110 | 78.944 | 8.88 | -168.73, -135.53 | |||||
3 | 4.8 | 92.16 | 0.24649 | 75.729 | 15.729 | 0.9625 | 0.2816 | 16.358 | 92.716 | 4.814 | -/+2.716S2 |
23.04 | 1.0389 | 0.2710 | 15.729 | 92.918 | 4.8519 | -/+2.918S3 | |||||
5.2 | 108.16 | 0.0420 | 87.591 | 27.591 | 0.886 | 0.5226 | 31.507 | 108.457 | 5.207 | 19.497 | |
27.04 | 27.591 | 5.25 | -31.507 | ||||||||
1.1283 | 0.4631 | 27.591 | 28.188 | 5.30 | -32.408 | ||||||
0 | 0.13165 | 82.434 | 22.434 | 0.9243 | 0.4128 | 24.386 | 2.8069 | 0.83 | -87.193 | ||
1.4034 | 0.601 | -88.596 | |||||||||
1.08188 | 0.3816 | 22.434 | 1.8913 | 0.687 | -88.108 | ||||||
4 | 4.8 | 92.16 | 0.07563 | 85.662 | 25.662 | 0.9013 | 0.4804 | 28.715 | 92.568 | 4.81 | -/+2.568 |
23.04 | 1.10943 | 0.4330 | 25.662 | 92.168 | 4.8 | -/+2.168 | |||||
5.2 | 108.16 | 0.04481 | 87.431 | 27.431 | 0.8875 | 0.5190 | 31.268 | 27.431 | 5.23 | -31.268 | |
27.04 | 108.524 | 5.20 | -19.577 | ||||||||
1.12667 | 0.4606 | 27.431 | 27.442 | 5.23 | -31.284 | ||||||
108.520 | 5.20 | -19.571 | |||||||||
0 | 0.05042 | 87.109 | 27.109 | 0.8901 | 0.5119 | 30.793 | 0.793 | 0.44 | -89.206 | ||
1.12342 | 0.4556 | 27.109 | 1.445 | 0.60 | -88.554 | ||||||
5 | 2.8 | 31.36 | 0.24649 | 75.729 | 15.729 | 0.9625 | 0.2816 | 16.358 | 31.048 | 2.78 | -27.283 |
7.84 | 8.09709 | 2.84 | -8.1791 | ||||||||
1.03890 | 0.2710 | 15.729 | 31.459 | 2.80 | 58.545 | ||||||
2.8 | -37.135 | ||||||||||
2.8 | -27.556 | ||||||||||
7.7917 | 2.79 | -7.8647 | |||||||||
3.6 | 51.84 | 0.03641 | 87.913 | 27.913 | 0.8836 | 0.5297 | 31.989 | 51.3264 | 3.582 | 38.6736 | |
12.96 | -37.9798 | ||||||||||
-53.1678 | |||||||||||
1.13165 | 0.4681 | 27.913 | 51.3912 | 3.584 | 38.6087 | ||||||
-38.0049 | |||||||||||
-52.9908 | |||||||||||
8.8 | 77.44 | 0.26610 | 74.567 | 14.567 | 0.9678 | 0.2598 | 15.062 | 322.46 | 8.97 | 142.468 | |
309.76 | 79.958 | 8.94 | 169.958 | ||||||||
1.03321 | 0.2515 | 14.567 | 310.417 | 8.8 | 142.716 | ||||||
79.711 | 8.92 | 168.711 | |||||||||
6 | 4.9 | 96.04 | 0.19607 | 78.692 | 18.692 | 0.94725 | 0.3383 | 19.775 | 24.887 | 4.98 | -22.823, -27.640 |
24.01 | 1.05568 | 0.3294 | 18.692 | 24.618 | 4.96 | -22.615 | |||||
24.346 | 4.93 | -22.403, -26.903 | |||||||||
0a | 0.21848 | 77.379 | 17.379 | 0.95434 | 0.3129 | 18.239 | 2.64 | 0.812 | -87.35 | ||
1.04783 | 0.2987 | 17.379 | 3.93 | 0.99 | -86.06 | ||||||
7 | 7.6 | 231.04 | 0.10364 | 84.051 | 24.051 | 0.9131 | 0.4462 | 26.506 | 230.54 | 7.59 | 37.67 |
57.76 | 1.0950 | 0.4075 | 24.051 | 58.253 | 7.63 | 31.746 | |||||
58.253 | 7.63 | -40.377 | |||||||||
58.253 | 7.63 | -38.224 | |||||||||
3.8 | 57.76 | 0.29971 | 72.559 | 12.559 | 0.9760 | 0.2120 | 12.242 | 58.061 | 3.809 | -38.563 | |
58.031 | 3.808 | -38.616 | |||||||||
57.872 | 3.80 | 32.128 | |||||||||
-40.259 | |||||||||||
-38.901 | |||||||||||
14.44 | 1.0245 | 0.2174 | 12.559 | 58.565 | 3.79 | -37.677 | |||||
57.559 | 3.79 | 32.440 | |||||||||
-40.162 | |||||||||||
-39.465 | |||||||||||
8 | 6.6 | 174.24 | 0.10364 | 84.051 | 24.051 | 0.9131 | 0.4462 | 26.506 | 43.253 | 6.57 | 46.746 |
43.56 | 1.09507 | 0.4075 | 24.051 | 174.018 | 6.57 | -/+5.948 | |||||
3.5 | 49 | 0.29971 | 72.559 | 12.559 | 0.9760 | 0.2227 | 12.864 | 12.5517 | 3.54 | -12.864 | |
12.25 | 1.02451 | 0.2174 | 12.559 | 12.2679 | 3.50 | -12.559 | |||||
9 | 7.3 | 213.16 | 0.112 | 83.56 | 23.56 | 0.916 | 0.436 | 25.86 | 214.13 | 7.31 | -55.87, -42.67, 29.29 |
53.29 | 212.29 | 7.28 | -57.93, -38.78, 27.96 | ||||||||
1.090 | 0.399 | 23.566 | 53.566 | 7.31 | 36.433, -38.81, -47.57 | ||||||
213.217 | 7.30 | -56.78, 28.71, -40.90 | |||||||||
4.5 | 20.25 | 0.3417 | 70.01 | 10.01 | 0.984 | 0.176 | 10.17 | 20.34 | 4.51 | 69.65 | |
81 | 80.34 | 4.49 | 170.34 | ||||||||
1.0158 | 0.173 | 10.01 | 20.008 | 4.47 | 69.99 | ||||||
80.008 | 4.47 | 170.01 |
Comp | 3JHH [Hz] | Φ [deg] | δCn [ppm] | δCn [gaussx10] | θAIn [deg] | θAI1 [deg] | 1/h h [π] | r [π] | θAIIn [deg] | Φ [deg] | 3JHH [deg] | θHnHn+1 [deg] | φCn [deg] |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 4.1 | 67.24 | C1: 55.8 | 1.56302 | 50.224 | 9.775 | 0.9854 | 0.1722 | 9.9921 | 69.921 | 4.18 | 20.0787 | 109.88 |
16.81 | 1.0147 | 0.1697 | 9.7757 | 69.775 | 4.17 | 20.2242 | 109.96 | ||||||
C2: 83.5 | 2.33893 | 64.688 | 4.688 | 0.9966 | 0.0820 | 4.7039 | 117.52 | 5.42 | -41.567 | 99.218, 101.563c | |||
115.29 | 5.36 | -25.296 | 102.655, 101.56b | ||||||||||
29.654 | 5.44 | -34.703 | 102.655, 101.56b | ||||||||||
1.0033 | 0.0817 | 4.6895 | 117.53 | 5.42 | -41.563 | 99.216, 101.567c | |||||||
115.31 | 5.369 | -25.310 | 102.663, 101.565b | ||||||||||
29.645 | 5.44 | -34.689 | 102.663, 101.565b | ||||||||||
5.4 | 116.6 | C3: 84.3 | 2.36694 | 65.008 | 5.008 | 0.9961 | 0.0876 | 5.0276 | 117.10 | 5.41 | -41.675 | 99.162, 101.669c | |
29.16 | 114.97 | 5.36 | -24.972 | 102.495, 101.669b | |||||||||
29.854 | 5.46 | -35.027 | 102.495, 101.669b | ||||||||||
1.0038 | 0.0873 | 5.0084 | 117.12 | 5.41 | -41.669 | 99.16, 101.675c | |||||||
114.99 | 5.36 | -24.991 | 102.48, 101.67b | ||||||||||
29.842 | 5.46 | -35.008 | 102.48, 101.67b | ||||||||||
0 | C4: 65.9 | 1.84593 | 57.198 | 2.801 | 0.9988 | 0.0489 | 2.8048 | 2.8048 | 0.837 | -87.195 | 106.39 | ||
1.0011 | 0.0488 | 2.8014 | 2.8014 | 0.836 | -87.198 | 106.40 | |||||||
2 | 3.1 | 38.44 | C1: 57.4 | 1.60784 | 51.541 | 8.458 | 0.9891 | 0.1487 | 8.5524 | 38.552 | 3.104 | 51.447 | 109.229, 106.917b |
9.61 | 1.0109 | 0.1470 | 8.4587 | 38.458 | 3.1 | 51.541 | 109.276, 107.104b | ||||||
C2: 71.5 | 2.00280 | 60.046 | 0.046 | 0.9999 | 0.0008 | 0.0462 | 60.046 | 3.874 | 29.953 | 104.97, 100.015b | |||
1.0000 | 0.0008 | 0.0462 | 60.046 | 3.874 | 29.953 | 104.976, 100.015b | |||||||
3.9 | 60.84 | C3: 71.7 | 2.00840 | 60.138 | 0.138 | 0.9999 | 0.0024 | 0.1383 | 60.138 | 3.877 | 29.861 | 104.93, 100.061b | |
15.21 | 1.0000 | 0.0024 | 0.1383 | 60.132 | 3.877 | 29.861 | 104.93, 100.046b | ||||||
8.8 | 77.44 | C4: 66.8 | 1.87114 | 57.694 | 2.305 | 0.9991 | 0.0402 | 2.3081 | 76.154 | 8.72 | -165.73 | 105.729c | |
309.7 | 79.230 | 8.90 | -169.03 | 109.036 | |||||||||
76.923 | 8.77 | -166.56 | 106.571U2,c | ||||||||||
76.923 | 8.77 | -135.75 | 105.752d | ||||||||||
1.0008 | 0.0402 | 2.3053 | 76.152 | 8.72 | -165.72 | 105.731c | |||||||
79.231 | 8.9 | -169.03 | 109.035 | ||||||||||
76.926 | 8.77 | -166.57 | 106.568U2,c | ||||||||||
76.926 | 8.77 | -135.75 | 105.752 | ||||||||||
3 | 4.8 | 92.16 | C1: 63.7 | 1.78431 | 55.913 | 4.086 | 0.9974 | 0.0714 | 4.0966 | 23.598 | 4.85 | -25.903 | 107.043 |
23.04 | 92.048 | 4.79 | +/-2.04e | 106.02 | |||||||||
1.0025 | 0.0712 | 4.0862 | 23.606 | 4.85 | -25.913 | 107.048 | |||||||
92.043 | 4.796 | +/-2.04e | 106.021 | ||||||||||
C2: 72.5 | 2.03081 | 60.500 | 0.500 | 0.9999 | 0.0087 | 0.5006 | 26.909 | 5.187 | -30.500 | 104.749, 100.166b | |||
109.83 | 5.21 | 19.833 | 99.916 | ||||||||||
1.0000 | 0.0087 | 0.5006 | 26.909 | 5.18 | -30.500 | 104.749, 100.166b | |||||||
108.74 | 5.21 | 19.833 | 99.916 | ||||||||||
5.2 | 108.1 | C3: 74.0 | 2.06511 | 61.037 | 1.037 | 0.9998 | 0.0181 | 1.0378 | 27.275 | 5.22 | -31.037 | 104.481, 100.345b | |
27.04 | 108.58 | 5.21 | 19.654 | 99.827 | |||||||||
1.0001 | 0.0181 | 1.0376 | 27.275 | 5.22 | -31.037 | 104.481, 100.345b | |||||||
108.58 | 5.21 | 19.654 | 99.827 | ||||||||||
0 | C4: 69.3 | 1.94117 | 58.992 | 1.007 | 0.9998 | 0.0175 | 1.0077 | 1.00771 | 0.501 | -88.992 | 105.503, 109.664b105.502, 109.664b | ||
41.000 | 80.017 | 41.007 | .0075 | 0.501 | -88.992 | ||||||||
4 | 4.8 | 92.16 | C1: 68.4 | 1.91596 | 58.538 | 1.461 | 0.9996 | 0.0255 | 1.4622 | 92.924 | 4.81 | -/+2.92 | 106.461 |
23.04 | 22.541 | 4.74 | -20.97 | 109.512 | |||||||||
1.0003 | 0.0255 | 1.4617 | 92.923 | 4.81 | -/+2.92 | 106.462 | |||||||
22.541 | 4.74 | -20.974 | 109.512 | ||||||||||
C2: 71.1 | 1.99159 | 59.860 | 0.139 | 0.9999 | 0.0024 | 0.1396 | 26.661 | 5.163 | -30.139 | 104.930 | |||
108.84 | 5.216 | 19.953 | 110.023 | ||||||||||
1.0000 | 0.0024 | 0.1396 | 26.661 | 5.163 | -30.139 | 104.930 | |||||||
108.84 | 5.213 | 19.953 | 110.023 | ||||||||||
5.2 | 108.1 | C3: 72.7 | 2.03641 | 60.589 | 0.589 | 0.9999 | 0.0102 | 0.5898 | 26.971 | 5.193 | -30.589 | 104.705 | |
27.04 | 108.71 | 5.217 | 19.8033 | 110.098 | |||||||||
1.0000 | 0.0102 | 0.5897 | 26.970 | 5.193 | -30.589 | 104.705 | |||||||
108.71 | 5.213 | 19.803 | 110.098 | ||||||||||
0 | C4: 70.9 | 1.98599 | 59.766 | 0.233 | 0.9999 | 0.0020 | 0.1167 | 0.1167 | 0.178 | 89.883 | 105.116 | ||
1.0000 | 0.0040 | 0.2335 | 0.233 | 0.241 | 89.766 | 105.058 | |||||||
5 | 2.8 | 31.36 | C1: 63.3 | 1.7731 | 55.668 | 4.331 | 0.9971 | 0.0757 | 4.3439 | 31.101 | 2.78 | -37.104 | 109.33 |
7.84 | 7.1593 | 2.65 | -7.104 | 109.33 | |||||||||
32.008 | 2.82 | -38.687 | 108.556 | ||||||||||
1.0028 | 0.0755 | 4.3315 | 31.105 | 2.78 | -37.112 | 108.552 | |||||||
7.167 | 2.67 | -7.112 | 108.552 | ||||||||||
31.994 | 2.828 | -38.663 | 109.343 | ||||||||||
C2: 72.1 | 2.01960 | 60.320 | 0.320 | 0.9999 | 0.0055 | 0.3206 | 50.213 | 3.54 | 39.789 | 100.106 | |||
-37.539 | 101.229d | ||||||||||||
-56.383 | 103.191d | ||||||||||||
1.0000 | 0.0055 | 0.3206 | 50.213 | 3.54 | 39.786 | 100.106 | |||||||
-37.540 | 101.230d | ||||||||||||
-56.383 | 103.191d | ||||||||||||
3.6 | 51.84 | C3: 73.4 | 2.0560 | 60.897 | 0.897 | 0.9998 | 0.0156 | 0.8974 | 50.598 | 3.55 | 39.401 | 100.2 | |
12.96 | -37.693 | 101.153d | |||||||||||
-55.276 | 102.615d | ||||||||||||
1.0001 | 0.0156 | 0.8974 | 50.598 | 3.55 | 39.401 | 100.299 | |||||||
-37.693 | 101.153d | ||||||||||||
-55.231 | 102.638d | ||||||||||||
8.8 | 77.44 | C4: 63.9 | 1.7899 | 56.035 | 3.964 | 0.9976 | 0.0693 | 3.9744 | 76.987 | 8.77 | 166.987 | 106.98c | |
309.7 | 1.0023 | 0.0691 | 3.9649 | 76.982 | 8.77 | 166.982 | 106.98c | ||||||
6 | 4.9 | 96.04 | C2: 78.4 | 2.19607 | 62.912 | 2.912 | 0.9987 | 0.0496 | 2.8471 | 24.530 | 4.95 | -27.152 | 103.543 |
24.01 | 95.694 | 4.89 | -5.694S2 | 102.687 | |||||||||
95.666 | 4.89 | 5.694S2 | 102.687 | ||||||||||
23.700 | 4.86 | -21.89U2 | 100.970 | ||||||||||
1.0012 | 0.0508 | 2.9120 | 95.824 | 4.89 | -5.824S2 | 102.152 | |||||||
95.794 | 4.89 | 5.824S2 | 102.152 | ||||||||||
23.755 | 4.87 | -21.94U2 | 100.949 | ||||||||||
C3: 85.4 | 2.39215 | 65.289 | 5.289 | 0.9957 | 0.0925 | 5.3122 | 95.312 | 4.88 | -5.312 | 102.355 | |||
95.289 | 4.88 | 5.3122 | 102.355 | ||||||||||
1.0042 | 0.0921 | 5.2895 | 95.289 | 4.88 | -5.289 | 102.343 | |||||||
95.267 | 4.88 | 5.289 | 102.343 | ||||||||||
0a | C4: 77.6 | 2.1736 | 62.609 | 2.609 | 0.9989 | 0.0455 | 2.6122 | 2.61222 | 0.808 | -87.38 | 106.304106.306 | ||
61.001 | 70.045 | 2.6095 | .6095 | 0.807 | -87.39 | ||||||||
7 | 7.6 | 231.0 | C2: 84.2 | 2.35854 | 64.913 | 4.913 | 0.9963 | 0.0859 | 4.9313 | 230.65 | 7.59 | -55.068 | 102.543, 101.637b |
57.76 | 57.342 | 7.57 | -39.862 | 100.086 | |||||||||
1.0036 | 0.0856 | 4.9132 | 230.64 | 7.59 | -55.086 | 102.534, 101.643b | |||||||
57.361 | 7.57 | -39.826 | 100.068 | ||||||||||
C3: 80.5 | 2.25490 | 63.673 | 3.673 | 0.9979 | 0.0642 | 3.6815 | 230.23 | 7.58 | -56.318 | 103.163, 101.224b | |||
229.77 | 7.57 | 37.363 | 101.326 | ||||||||||
1.0020 | 0.0640 | 3.6739 | 230.23 | 7.58 | -56.326 | 103.159, 101.227b | |||||||
229.73 | 7.57 | 37.347 | 101.318 | ||||||||||
3.8 | 57.76 | C4: 69.8 | 1.95518 | 58.238 | 0.761 | 0.9999 | 0.0138 | 0.7612 | 57.851 | 3.80 | -79.747 | 110.126, 108.77c | |
14.44 | 14.165 | 3.76 | -105.38e | 104.619c, 97.309 | |||||||||
1.0000 | 0.0132 | 0.7612 | 57.851 | 3.80 | -79.747 | 110.373, 108.77c | |||||||
14.165 | 3.76 | -105.38e | 104.619c, 97.306 | ||||||||||
8 | 6.6 | 174.2 | C2: 84.2 | 2.35854 | 64.913 | 4.913 | 0.9963 | 0.0859 | 4.9313 | 44.300 | 6.65 | -34.931 | 102.54, 101.63b |
43.56 | 1.0036 | 0.0856 | 4.9132 | 44.262 | 6.65 | -34.913 | 102.53, 101.643b | ||||||
C3: 80.5 | 2.25490 | 63.673 | 3.673 | 0.9979 | 0.0642 | 3.6815 | 43.159 | 6.56 | 46.840e | 103.163c, 98.418 | |||
1.0020 | 0.0640 | 3.6739 | 43.163 | 6.56 | 46.836e | 103.159c, 98.420 | |||||||
3.5 | 49 | C4: 69.8 | 1.95518 | 59.238 | 0.761 | 0.9999 | 0.0132 | 0.7612 | 49.746 | 3.52 | -82.65 | 108.675d | |
12.25 | -62.149 | 106.074d | |||||||||||
1.0000 | 0.0132 | 0.7612 | 49.746 | 3.52 | -82.65 | 108.675d | |||||||
-62.149 | 106.074d | ||||||||||||
9 | 7.3 | 213.1 | C2: 84.0 | 2.35294 | 64.849 | 4.849 | 0.9964 | 0.0848 | 4.8667 | 213.59 | 7.30 | -41.622 | 101.616c, 99.417 |
53.29 | 1.0035 | 0.8453 | 4.8493 | 213.58 | 7.30 | -41.616 | 101.167c, 99.416 | ||||||
C3: 80.0 | 2.24089 | 63.496 | 3.496 | 0.9981 | 0.0611 | 3.5031 | 213.35 | 7.30 | -41.167 | 101.165c, 99.417 | |||
1.0018 | 0.0609 | 3.4966 | 213.35 | 7.30 | -41.165 | 101.167c, 99.416 | |||||||
4.5 | 81 | C4: 67.8 | 1.89915 | 58.227 | 1.772 | 0.9995 | 0.0309 | 1.7734 | 20.629 | 4.54 | 170.295 | 109.852e, 110.295c | |
20.25 | 1.0004 | 0.0309 | 1.7725 | 20.630 | 4.54 | 170.295 | 109.852e, 110.295c | ||||||
10 | 3.9 | 60.84 | C2: 75.0 | 2.10084 | 61.575 | 1.575 | 0.9996 | 0.0275 | 1.5761 | 61.576 | 3.92 | 28.423 | 104.212 |
15.21 | 61.257 | 3.91 | -40.525 | 100.525c | |||||||||
1.0003 | 0.0274 | 1.5755 | 61.575 | 3.92 | 28.424 | 104.211 | |||||||
61.257 | 3.91 | -40.525 | 100.525c | ||||||||||
C3: 68.8 | 1.92717 | 58.741 | 1.258 | 0.9997 | 0.0219 | 1.2584 | 61.258 | 3.91 | 28.741 | 104.370 | |||
61.608 | 3.92 | -40.419 | 100.419c | ||||||||||
1.0002 | 0.0219 | 1.2581 | 61.258 | 3.91 | 28.741 | 104.370 | |||||||
61.608 | 3.92 | -40.419 | 100.419c | ||||||||||
9.1 | 82.81 | C4: 74.9 | 2.09803 | 61.534 | 1.534 | 0.9996 | 0.0267 | 1.5346 | 331.38 | 9.10 | 146.931 | 106.53 | |
331.2 | 331.53 | 9.10 | 61.534 | 105.767 | |||||||||
1.0003 | 0.0267 | 1.5341 | 331.38 | 9.10 | 146.932 | 106.534 | |||||||
331.53 | 9.10 | 61.534 | 105.767 |
RMN data | Nuclear Magnetic Resonance Data |
| [1] | U. Pinkall, Hopf tori in S3, Invent.math 1985, 81, 379. |
| [2] | Udo Hertrich-Jeromin Bulletin (New Series) of the American Mathematical Society 2005, 42(4), 549, ISBN 0-521-53569-7. |
| [3] | D. Bender, Quantum qravity, energy wave sphere, and the proton radius, European J. Appl. Sci. 2024, 1291), |
| [4] | Chemistry Libre Texts: Deriving the de Broglie Wave length; |
| [5] |
Conic Projection:
https://mathword.wolfram.com/ConicProjection.html (1.08.2025). |
| [6] | C. I. Mitan, E. Bartha, P. Filip, R. Moriarty, Nuclear Magnetic Resonance Spectroscopy - Recent Research and Applications, chapter book: Dihedral and tetrahedral angles of five and six membered ring calculated from NMR data with 3-Sphere approach, IntachOpen 2025 |
| [7] | C.-I. Mitan, E. Bartha, M.-T. Caproiu, C. Draghici, C. Deleanu, Petru Filip, Robert M. Moriarty, Dihedral angles and conic projection under wave motion, 10-15 November 2025, MedMolMed 2025, Chisinau, Republica Moldova, |
| [8] | R. M. Moriarty, C. I. Mitan, N. Branza-Nichita, K. R. Phares, D. Parrish, exo-Imino to endo-iminocyclitol rearrangement. A general route to five membered antiviral azasugars, Org. Lett. 2006, 8, 3465; |
| [9] | R. M. Moriarty, C.-I. Mitan, B. Gu, T. Block, Hypersphere and antiviral activity of three alkyl chain iminocyclitols with D and L ribitol stereochemistry, Am. J. Chem. Soc. 2023, 9(1), 9; |
| [10] | C.-I. Mitan, E. Bartha, P. Filip, Relationships between tetrahedral and dihedral on hypersphere coordinates, Rev. Roum. Chim. 2023, 68(5-6), 261; |
| [11] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M.-T. Caproiu, R. M. Moriarty, 3-Sphere dihedral angles under wave character of the NMR data with applications on conformational analysis, ACS Spring, San Diego march 23 – 27, CARB 623, ID 4175487; |
| [12] | C.-I. Mitan, E. Bartha, C. Draghici, M.-T. Caproiu, P. Filip, R. M. Moriarty, Hopf fibration on relationship between dihedral angle θHnHn-1[deg] and Vicinal angle ϕ[deg], angles calculated from NMR data with 3-Sphere approach and Java Script, Sci. J. Chem, 2022, 10(1), 21; |
| [13] | C.-I. Mitan, E. Bartha, P. Filip, V. Dragutan, I. Dragutan, C. Deleanu, C. Draghici, M.-T. Caproiu, R. M. Moriarty, 3-Spherical conformational insights into iminocyclitols with 1-α-D-ribose and 1-β-L-ribose stereochemistry under homotopic behaviour of nuclear magnetic resonance data, Sci. J. Chem 2026, accepted. |
| [14] |
N-Sphere, 3-Sphere – Glome – 4 Dimension:
https://en.wikipedia.org/wiki/N-Sphere (28-01-2026). |
| [15] | C.-I. Mitan, E. Bartha, P. Filip, C. Draghici, M.-T. Caproiu, R. M. Moriarty, Java Script program for calculation of dihedral angles with manifold equations, Sci. J. Chem, 2024, 12(3), 42; |
| [16] | C.-I. Mitan, P. Filip, E. Bartha, C. Draghici, M.-T. Caproiu, R. M. Moriarty, Stereochemistry of cis – trans vicinal coupling constant 3JHH[Hz] on 3-Sphere approach with application in conformational analysis, ACS Spring, San Diego march 23 – 27, Sci-Mix CARB – ANYL 632, ID 4175485; |
| [17] | C.-I. Mitan, E. Bartha, P. Filip, Distances lHnHn+1[A0] calculated from 3-Sphere dihedral angles θHnHn+1[deg]; |
APA Style
Mitan, C., Bartha, E., Filip, P., Caproiu, M., Draghici, C., et al. (2026). Conic Projection as Manifold and 3-Sphere Dihedral Angles θHnHn+1[Deg] Under Homotopy. Science Journal of Chemistry, 14(1), 12-24. https://doi.org/10.11648/j.sjc.20261401.12
ACS Style
Mitan, C.; Bartha, E.; Filip, P.; Caproiu, M.; Draghici, C., et al. Conic Projection as Manifold and 3-Sphere Dihedral Angles θHnHn+1[Deg] Under Homotopy. Sci. J. Chem. 2026, 14(1), 12-24. doi: 10.11648/j.sjc.20261401.12
@article{10.11648/j.sjc.20261401.12,
author = {Carmen-Irena Mitan and Emerich Bartha and Petru Filip and Miron-Teodor Caproiu and Constantin Draghici and Calin Deleanu and Valeriu Dragutan and Robert Michael Moriarty},
title = {Conic Projection as Manifold and 3-Sphere Dihedral Angles θHnHn+1[Deg] Under Homotopy},
journal = {Science Journal of Chemistry},
volume = {14},
number = {1},
pages = {12-24},
doi = {10.11648/j.sjc.20261401.12},
url = {https://doi.org/10.11648/j.sjc.20261401.12},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20261401.12},
abstract = {Conic projection as manifold enable calculation dihedral θHnHn+1[deg] angles from differences between two atoms of carbon ΔδCnCn+1[ppm] in three steps or from only one atom of carbon δCn[ppm] in close relationships with tetrahedral φCn[deg] angles under 3-Sphere approach. Hopf fibration and Lie algebra ensuring calculation dihedral θHnHn+1[deg] angles from vicinal ϕ[deg] angle, angle results from vicinal coupling constant 3JHH[Hz]. Real Hopf fibration for calculation dihedral θHnHn+1[deg] angle in real space, and R16 octonionic Hopf fibration, double of quaternionic R7, for all cis, trans-ee, trans-aa stereochemistry, unreal space relative to calculated dihedral θHnHn+1[deg] angle. Continue “deformation”, homotopic behaviour h ⇆ h-1 characteristic for wave NMR data, probably a point of swich on Möbius band, in case of radius r of the cone inscribes on sphere at tangent point, calculated from height of cone h or inverse of height h-1, the tan function of h is equal with sin function of h-1. Dihedral θHnHn+1[deg] and tetrahedral φCn[deg] angles are from the trigonometric point of view under sin and tan function, or viceversa, homotopic behavior of NMR data under conic projection demonstrating that. Because the dihedral θHnHn+1[deg] angles are not found in first unit, for few vicinal coupling constants 3JHH[Hz], the rule accepted until now are explored taking in consideration other sets for building unit along the set C, respectively D, E and F, G, or vicinal angle ϕ[deg] with its three possible dihedral θHnHn+1[deg] angles in close relationships with tetrahedral φCn[deg] angles under seven sets unit. Building units through sets U or S calculated from sin or tan functions until calculated angles are almost equals with angles of unit U1 or S1, required long time for calculation.},
year = {2026}
}
TY - JOUR T1 - Conic Projection as Manifold and 3-Sphere Dihedral Angles θHnHn+1[Deg] Under Homotopy AU - Carmen-Irena Mitan AU - Emerich Bartha AU - Petru Filip AU - Miron-Teodor Caproiu AU - Constantin Draghici AU - Calin Deleanu AU - Valeriu Dragutan AU - Robert Michael Moriarty Y1 - 2026/02/26 PY - 2026 N1 - https://doi.org/10.11648/j.sjc.20261401.12 DO - 10.11648/j.sjc.20261401.12 T2 - Science Journal of Chemistry JF - Science Journal of Chemistry JO - Science Journal of Chemistry SP - 12 EP - 24 PB - Science Publishing Group SN - 2330-099X UR - https://doi.org/10.11648/j.sjc.20261401.12 AB - Conic projection as manifold enable calculation dihedral θHnHn+1[deg] angles from differences between two atoms of carbon ΔδCnCn+1[ppm] in three steps or from only one atom of carbon δCn[ppm] in close relationships with tetrahedral φCn[deg] angles under 3-Sphere approach. Hopf fibration and Lie algebra ensuring calculation dihedral θHnHn+1[deg] angles from vicinal ϕ[deg] angle, angle results from vicinal coupling constant 3JHH[Hz]. Real Hopf fibration for calculation dihedral θHnHn+1[deg] angle in real space, and R16 octonionic Hopf fibration, double of quaternionic R7, for all cis, trans-ee, trans-aa stereochemistry, unreal space relative to calculated dihedral θHnHn+1[deg] angle. Continue “deformation”, homotopic behaviour h ⇆ h-1 characteristic for wave NMR data, probably a point of swich on Möbius band, in case of radius r of the cone inscribes on sphere at tangent point, calculated from height of cone h or inverse of height h-1, the tan function of h is equal with sin function of h-1. Dihedral θHnHn+1[deg] and tetrahedral φCn[deg] angles are from the trigonometric point of view under sin and tan function, or viceversa, homotopic behavior of NMR data under conic projection demonstrating that. Because the dihedral θHnHn+1[deg] angles are not found in first unit, for few vicinal coupling constants 3JHH[Hz], the rule accepted until now are explored taking in consideration other sets for building unit along the set C, respectively D, E and F, G, or vicinal angle ϕ[deg] with its three possible dihedral θHnHn+1[deg] angles in close relationships with tetrahedral φCn[deg] angles under seven sets unit. Building units through sets U or S calculated from sin or tan functions until calculated angles are almost equals with angles of unit U1 or S1, required long time for calculation. VL - 14 IS - 1 ER -