Online Demo Results
-
Solvent toluene Peaks ( 1.21 × 10 − 4 ) Solvent toluene Peaks ( 1.25 × 10 − 4 ) Solvent toluene Peaks ( 0.76 × 10 − 4 ) Value 6.97 ns Solvent toluene Value 1.0 Solvent toluene
-
Solvent toluene Peaks ( 0.92 × 10 − 4 ) Solvent toluene Peaks ( 0.955 × 10 − 4 ) Solvent toluene Peaks ( 0.56 × 10 − 4 ) Value ∼0.7 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 8.88 ( dd 2H 4.3 Hz ), 7.74–7.70 ( m 2H ), 7.64–7.55 ( m 5H ), 7.49–7.46 ( m 4H ), 7.40–7.33 ( m 4H ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 150.05, 147.74, 138.66, 138.21, 131.16, 129.76, 129.06, 128.46, 127.64, 127.21, 126.58, 126.00, 125.68, 125.1 Solvent KBr Peaks 3429 cm−1 ( bs ), 3061 cm−1 ( m ), 2922 cm−1 ( m ), 2851 cm−1 ( m ), 2359 cm−1 ( w ), 1941 cm−1 ( w ), 1809 cm−1 ( w ), 1704 cm−1 ( w ), 1646 cm−1 ( w ), 1592 cm−1 ( s ), 1538 cm−1 ( m ), 1519 cm−1 ( w ), 1495 cm−1 ( m ), 1438 cm−1 ( s ), 1390 cm−1 ( s ), 1324 cm−1 ( m ), 1254 cm−1 ( m ), 1212 cm−1 ( m ), 1167 cm−1 ( m ), 1145 cm−1 ( m ), 1118 cm−1 ( m ), 1068 cm−1 ( m ), 1025 cm−1 ( s ), 989 cm−1 ( m ), 945 cm−1 ( m ), 915 cm−1 ( w ), 901 cm−1 ( w ), 877 cm−1 ( w ), 849 cm−1 ( w ), 817 cm−1 ( m ), 768 cm−1 ( s ), 703 cm−1 ( s ), 673 cm−1 ( m ), 651 cm−1 ( s ), 610 cm−1 ( s ), 527 cm−1 ( s ), 427 cm−1 ( w ) Solvent toluene Peaks ( 1.21 × 10 − 4 ) Solvent toluene Peaks ( 1.28 × 10 − 4 ) Solvent toluene Peaks ( 0.79 × 10 − 4 ) Value 280.7 °C Value 6.93 ns Solvent toluene Value 0.96±0.020 Solvent toluene
-
Nucleus F19 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts −62.38 Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.88 ( d 2H 8.08 Hz ), 7.72–7.70 ( m 2H ), 7.64–7.56 ( m 6H ), 7.49–7.47 ( m 2H ), 7.38–7.33 ( m 4H ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 143.15, 138.78, 137.87, 135.16, 131.76, 131.20, 129.98, 129.80, 129.66, 129.60, 128.44, 127.58, 127.13, 126.32, 125.46, 125.41, 125.11 Solvent neat Peaks 3061 cm−1 ( bw ), 2820 cm−1 ( w ), 1615 cm−1 ( m ), 1494 cm−1 ( w ), 1440 cm−1 ( m ), 1402 cm−1 ( m ), 1393 cm−1 ( m ), 1324 cm−1 ( s ), 1161 cm−1 ( s ), 1117 cm−1 ( s ), 1020 cm−1 ( m ), 942 cm−1 ( m ), 835 cm−1 ( m ), 770 cm−1 ( s ), 760 cm−1 ( s ), 700 cm−1 ( m ), 666 cm−1 ( s ), 624 cm−1 ( m ), 610 cm−1 ( s ), 515 cm−1 ( m ), 440 cm−1 ( m ), 421 cm−1 ( m ) Solvent toluene Peaks ( 1.22 × 10 − 4 ) Solvent toluene Peaks ( 1.29 × 10 − 4 ) Solvent toluene Peaks ( 0.795 × 10 − 4 ) Value 254.7 °C Value 6.84 ns Solvent toluene Value 1.0±0.010 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.94–7.91 ( dt 2H 8.4 Hz ), 7.73–7.69 ( m 2H ), 7.63–7.61 ( m 2H ), 7.60–7.52 ( m 4H ), 7.48–7.46 ( m 2H ), 7.39–7.33 ( m 4H ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 144.53, 138.63, 138.26, 134.47, 132.29, 131.15, 129.77, 129.36, 128.46, 127.65, 127.24, 125.98, 125.69, 125.17, 118.90, 111.60, 31.37 Solvent neat Peaks 3056 cm−1 ( bw ), 2230 cm−1 ( m ), 1934 cm−1 ( bw ), 1815 cm−1 ( w ), 1603 cm−1 ( m ), 1497 cm−1 ( m ), 1438 cm−1 ( m ), 1390 cm−1 ( m ), 1271 cm−1 ( w ), 1253 cm−1 ( w ), 1190 cm−1 ( w ), 1106 cm−1 ( w ), 1069 cm−1 ( w ), 1027 cm−1 ( m ), 941 cm−1 ( m ), 896 cm−1 ( w ), 880 cm−1 ( w ), 849 cm−1 ( m ), 834 cm−1 ( m ), 793 cm−1 ( w ), 764 cm−1 ( s ), 734 cm−1 ( w ), 700 cm−1 ( s ), 669 cm−1 ( s ), 641 cm−1 ( m ), 611 cm−1 ( s ), 555 cm−1 ( s ), 521 cm−1 ( w ), 501 cm−1 ( w ), 421 cm−1 ( m ) Solvent toluene Peaks ( 1.24 × 10 − 4 ) Solvent toluene Peaks ( 1.31 × 10 − 4 ) Solvent toluene Peaks ( 0.80 × 10 − 4 ) Value 281.6 °C Value 5.54 ns Solvent toluene Value 0.99±0.003 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.77–7.73 ( m 2H ), 7.70–7.67 ( m 2H ), 7.63–7.52 ( m 3H ), 7.49–7.47 ( m 2H ), 7.42–7.38 ( m 2H ), 7.36–7.30 ( m 2H ), 7.17–7.13 ( m 2H ), 3.97 ( s 3H ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 218.85, 159.00, 139.11, 136.91, 136.89, 132.36, 131.31, 131.08, 130.19, 129.89, 128.37, 127.41, 127.02, 126.93, 124.93, 124.88, 55.38 Solvent neat Peaks 3068 cm−1 ( w ), 3041 cm−1 ( w ), 2997 cm−1 ( m ), 2961 cm−1 ( m ), 2839 cm−1 ( w ), 1955 cm−1 ( bw ), 1888 cm−1 ( bw ), 1815 cm−1 ( w ), 1708 cm−1 ( w ), 1636 cm−1 ( w ), 1607 cm−1 ( m ), 1573 cm−1 ( m ), 1512 cm−1 ( s ), 1496 cm−1 ( m ), 1461 cm−1 ( m ), 1439 cm−1 ( m ), 1408 cm−1 ( w ), 1390 cm−1 ( m ), 1369 cm−1 ( w ), 1303 cm−1 ( w ), 1284 cm−1 ( m ), 1241 cm−1 ( s ), 1181 cm−1 ( m ), 1104 cm−1 ( m ), 1070 cm−1 ( m ), 1027 cm−1 ( s ), 941 cm−1 ( m ), 915 cm−1 ( w ), 877 cm−1 ( w ), 848 cm−1 ( m ), 830 cm−1 ( s ), 791 cm−1 ( w ), 770 cm−1 ( s ), 755 cm−1 ( s ), 731 cm−1 ( w ), 714 cm−1 ( w ), 704 cm−1 ( s ), 665 cm−1 ( s ), 638 cm−1 ( m ), 627 cm−1 ( m ), 611 cm−1 ( s ), 578 cm−1 ( m ), 534 cm−1 ( m ), 498 cm−1 ( w ), 418 cm−1 ( m ) Solvent toluene Peaks ( 1.245 × 10 − 4 ) Solvent toluene Peaks ( 1.32 × 10 − 4 ) Solvent toluene Peaks ( 0.815 × 10 − 4 ) Value 233.6 °C Value 5.50 ns Solvent toluene Value 0.84±0.065 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.90–7.88 ( m 2H ), 7.69–7.67 ( m 2H ), 7.63 ( dd 1H 1.2 Hz ), 7.61–7.58 Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 139.23, 138.82, 138.50, 131.55, 131.16, 129.78, 129.46, 128.73, 128.40, 127.55, 127.16, 126.94, 126.68, 126.66, 125.51, 125.11 Solvent KBr Peaks 3060 cm−1 ( bm ), 1947 cm−1 ( w ), 1806 cm−1 ( w ), 1708 cm−1 ( w ), 1598 cm−1 ( w ), 1518 cm−1 ( w ), 1438 cm−1 ( m ), 1377 cm−1 ( m ), 1389 cm−1 ( m ), 1286 cm−1 ( w ), 1222 cm−1 ( m ), 1161 cm−1 ( w ), 1112 cm−1 ( w ), 1070 cm−1 ( w ), 1027 cm−1 ( m ), 931 cm−1 ( m ), 834 cm−1 ( m ), 765 cm−1 ( s ), 741 cm−1 ( m ), 702 cm−1 ( m ), 692 cm−1 ( s ), 670 cm−1 ( m ), 651 cm−1 ( s ), 632 cm−1 ( w ), 611 cm−1 ( s ), 596 cm−1 ( w ), 487 cm−1 ( w ), 511 cm−1 ( m ), 487 cm−1 ( w ), 446 cm−1 ( w ), 416 cm−1 ( m ) Solvent toluene Peaks ( 1.255 × 10 − 4 ) Solvent toluene Peaks ( 1.315 × 10 − 4 ) Solvent toluene Peaks ( 0.8 × 10 − 4 ) Value 197.0 °C Value 0.09±0.002 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.89–7.85 ( m 4H ), 7.63 ( dd 2H 1.2 Hz ), 7.43–7.39 ( m 4H ), 7.32 ( dd 2H 3.4 Hz ), 7.22 ( dd 2H 1.2 Hz ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 138.88, 131.42, 130.21, 129.51, 127.17, 126.79, 126.65, 125.64, 77.32, 77.00, 76.68 Solvent KBr Peaks 3102 cm−1 ( w ), 3058 cm−1 ( w ), 2921 cm−1 ( m ), 2851 cm−1 ( m ), 1789 cm−1 ( w ), 1717 cm−1 ( w ), 1529 cm−1 ( w ), 1448 cm−1 ( w ), 1435 cm−1 ( m ), 1372 cm−1 ( m ), 1328 cm−1 ( m ), 1258 cm−1 ( w ), 1221 cm−1 ( m ), 1173 cm−1 ( w ), 1146 cm−1 ( w ), 1136 cm−1 ( w ), 1101 cm−1 ( m ), 1036 cm−1 ( m ), 1025 cm−1 ( m ), 957 cm−1 ( w ), 904 cm−1 ( m ), 848 cm−1 ( m ), 817 cm−1 ( s ), 767 cm−1 ( s ), 741 cm−1 ( m ), 692 cm−1 ( s ), 670 cm−1 ( s ), 652 cm−1 ( m ), 643 cm−1 ( m ), 612 cm−1 ( m ), 602 cm−1 ( m ), 510 cm−1 ( m ), 490 cm−1 ( w ), 415 cm−1 ( m ) Solvent toluene Peaks ( 1.35 × 10 − 4 ) Solvent toluene Peaks ( 1.365 × 10 − 4 ) Solvent toluene Peaks ( 0.815 × 10 − 4 ) Value 246.1 °C Value 0.02±0.000 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.90 ( m 4H ), 7.65 ( dd 1H 1.2 Hz ), 7.62–7.56 ( m 4H ), 7.44–7.33 ( m 5H ), 7.24 ( dd 1H 1.2 Hz ) Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 142.89, 138.86, 136.53, 131.62, 131.48, 130.10, 129.77, 129.58, 129.53, 127.20, 126.85, 126.82, 126.31, 125.64, 125.60, 125.47, 125.43, 109.99 Nucleus F19 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts −62.39 Solvent KBr Peaks 3068 cm−1 ( bw ), 2878 cm−1 ( w ), 1929 cm−1 ( w ), 1805 cm−1 ( bw ), 1712 cm−1 ( bw ), 1614 cm−1 ( m ), 1574 cm−1 ( w ), 1519 cm−1 ( w ), 1439 cm−1 ( m ), 1404 cm−1 ( m ), 1380 cm−1 ( m ), 1319 cm−1 ( s ), 1222 cm−1 ( m ), 1185 cm−1 ( m ), 1160 cm−1 ( s ), 1141 cm−1 ( s ), 1113 cm−1 ( s ), 1104 cm−1 ( s ), 1065 cm−1 ( s ), 1020 cm−1 ( m ), 956 cm−1 ( w ), 932 cm−1 ( m ), 860 cm−1 ( w ), 850 cm−1 ( w ), 836 cm−1 ( m ), 825 cm−1 ( s ), 764 cm−1 ( s ), 748 cm−1 ( m ), 741 cm−1 ( m ), 708 cm−1 ( w ), 692 cm−1 ( s ), 674 cm−1 ( m ), 659 cm−1 ( s ), 634 cm−1 ( m ), 615 cm−1 ( s ), 596 cm−1 ( m ), 511 cm−1 ( m ), 494 cm−1 ( w ), 464 cm−1 ( w ), 442 cm−1 ( m ), 417 cm−1 ( m ) Solvent toluene Peaks ( 1.28 × 10 − 4 ) Solvent toluene Peaks ( 1.32 × 10 − 4 ) Solvent toluene Peaks ( 0.80 × 10 − 4 ) Value 261.4 °C Value 0.026±0.006 Solvent toluene
-
Nucleus C13 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 159.10, 137.69, 134.99, 132.28, 131.76, 130.78, 130.14, 129.63, 127.22, 126.31, 125.43, 125.40, 125.02, 113.90, 55.39 Nucleus F19 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts −62.36 Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 7.88 ( d 2H 7.9 Hz ), 7.79–7.75 ( m 2H ), 7.62 ( d 2H 7.8 Hz ), 7.60–7.56 ( m 2H ), 7.41–7.33 ( m 6H ), 7.15 ( dt 2H 8.7 Hz ), 3.97 ( s 3H ) Solvent KBr Peaks 3065 cm−1 ( bw ), 2953 cm−1 ( w ), 1939 cm−1 ( bw ), 1817 cm−1 ( bw ), 1613 cm−1 ( m ), 1605 cm−1 ( m ), 1574 cm−1 ( w ), 1510 cm−1 ( m ), 1460 cm−1 ( m ), 1440 cm−1 ( m ), 1403 cm−1 ( m ), 1392 cm−1 ( m ), 1367 cm−1 ( w ), 1321 cm−1 ( s ), 1286 cm−1 ( m ), 1242 cm−1 ( m ), 1175 cm−1 ( m ), 1158 cm−1 ( s ), 1120 cm−1 ( s ), 1104 cm−1 ( s ), 1065 cm−1 ( s ), 1036 cm−1 ( m ), 1021 cm−1 ( m ), 942 cm−1 ( m ), 883 cm−1 ( w ), 866 cm−1 ( w ), 848 cm−1 ( m ), 826 cm−1 ( s ), 818 cm−1 ( m ), 708 cm−1 ( w ), 771 cm−1 ( s ), 751 cm−1 ( s ), 730 cm−1 ( w ), 672 cm−1 ( s ), 644 cm−1 ( w ), 633 cm−1 ( m ), 621 cm−1 ( w ), 610 cm−1 ( m ), 591 cm−1 ( w ), 577 cm−1 ( m ), 533 cm−1 ( m ), 506 cm−1 ( w ), 430 cm−1 ( m ), 421 cm−1 ( m ) Solvent toluene Peaks ( 1.23 × 10 − 4 ) Solvent toluene Peaks ( 1.30 × 10 − 4 ) Solvent toluene Peaks ( 0.80 × 10 − 4 ) Value 305.7 °C Value 4.69 ns Solvent toluene Value 0.77±0.016 Solvent toluene
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 8.59 ( d 2H 8.9 Hz ), 7.83 ( d 2H 8.9 Hz ), 7.63–7.58 ( m 1H ), 7.46–7.42 ( m 1H ), 7.32–7.28 ( m 1H ), 7.20–7.17 ( m 1H )
-
Nucleus H1 Frequency 400 MHz Solvent CDCl3 Apparatus 400 MHz Varian NMR Shifts 8.60 ( d 2H 9.5 Hz ), 7.70 ( d 2H 8.2 Hz ), 7.60–7.56 ( m 2H ), 7.39–7.36 ( m 2H ), 7.31 ( d 2H 7.5 Hz ), 7.12 ( d 2H 7.6 Hz ), 3.95 ( s 3H )
These chemical names were found in the document but were not found to have any associated spectra or properties. There is a higher chance of false positives amongst these names.
| publisher | Royal Society of Chemistry |
|---|---|
| doi | 10.1039/c5tc02626a |
| language | en |
| license | http://creativecommons.org/licenses/by/3.0/ |
| title | Photophysical characterization of the 9,10-disubstituted anthracene chromophore and its applications in triplet–triplet annihilation photon upconversion |
| journal | Journal of Materials Chemistry C |
| pdf_url | http://pubs.rsc.org/en/Content/ArticlePDF/2015/TC/C5TC02626A |
| landing_url | http://pubs.rsc.org/en/Content/ArticleLanding/2015/TC/C5TC02626A |
| html_url | http://pubs.rsc.org/en/Content/ArticleHTML/2015/TC/C5TC02626A |
| firstpage | 11111 |
| filename | c21790d4-1bb1-4110-9b91-fffd2b809738.html |
| volume | 3 |
| lastpage | 11121 |
| authors | Victor Gray, Damir Dzebo, Angelica Lundin, Jonathan Alborzpour, Maria Abrahamsson, Bo Albinsson, Kasper Moth-Poulsen, Victor Gray, Damir Dzebo, Angelica Lundin, Jonathan Alborzpour, Maria Abrahamsson, Bo Albinsson, Kasper Moth-Poulsen |
| published_date | 2015-10-22T00:00:00 |
| issue | 42 |
| online_date | 2015-09-21T00:00:00 |
| TTA-UC | triplet annihilation upconversion |
|---|---|
| DPA | 9,10-diphenylanthracene |
| OLEDs | organic light emitting diodes |
| TTA | triplet annihilation |
| ISC | intersystem crossing |
| TET | triplet - energy transfer |
| TTA | triplet annihilation |
| ISC | intersystem crossing |
| TET | triplet energy transfer |
| PtOEP | platinum octaethylporphyrin |
| TCSPC | time correlated single photon counting |
| PtOEP | platinum octaethylporphyrin |
| PdOEP | palladium octaethylporphyrin |
| ΔεST | ΔεET ) , the sensitizer triplet absorptivity |
| aphos | as two scaling factors for the relative magnitude of phosphorescence |
| SNIC | Swedish National Infrastructure for Computing |
| ESI | Electronic supplementary information |
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"Victor Gray",
"Damir Dzebo",
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"Jonathan Alborzpour",
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"filename": "c21790d4-1bb1-4110-9b91-fffd2b809738.html",
"firstpage": "11111",
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"issue": "42",
"journal": "Journal of Materials Chemistry C",
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"language": "en",
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"publisher": "Royal Society of Chemistry",
"title": "Photophysical characterization of the 9,10-disubstituted anthracene chromophore and its applications in triplet–triplet annihilation photon upconversion",
"volume": "3"
},
"records": [
{
"fluorescence_lifetimes": [
{
"solvent": "toluene",
"units": "ns",
"value": "6.97"
}
],
"labels": [
"1"
],
"names": [
"9,10-diphenylanthracene",
"DPA"
],
"quantum_yields": [
{
"solvent": "toluene",
"type": "Φf",
"value": "1.0"
}
],
"roles": [
"compounds"
],
"smiles": "C1(=CC=CC=C1)C=1C2=CC=CC=C2C(=C2C=CC=CC12)C1=CC=CC=C1",
"uvvis_spectra": [
{
"peaks": [
{
"extinction": "1.21",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "1.25",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "0.76",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
}
]
},
{
"labels": [
"2"
],
"names": [
"9,10-dimethylanthracene"
],
"quantum_yields": [
{
"solvent": "toluene",
"type": "Φf",
"value": "∼0.7"
}
],
"smiles": "CC=1C2=CC=CC=C2C(=C2C=CC=CC12)C",
"uvvis_spectra": [
{
"peaks": [
{
"extinction": "0.92",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "0.955",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "0.56",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
}
]
},
{
"fluorescence_lifetimes": [
{
"solvent": "toluene",
"units": "ns",
"value": "6.93"
}
],
"ir_spectra": [
{
"peaks": [
{
"bond": "bs",
"units": "cm−1",
"value": "3429"
},
{
"strength": "m",
"units": "cm−1",
"value": "3061"
},
{
"strength": "m",
"units": "cm−1",
"value": "2922"
},
{
"strength": "m",
"units": "cm−1",
"value": "2851"
},
{
"strength": "w",
"units": "cm−1",
"value": "2359"
},
{
"strength": "w",
"units": "cm−1",
"value": "1941"
},
{
"strength": "w",
"units": "cm−1",
"value": "1809"
},
{
"strength": "w",
"units": "cm−1",
"value": "1704"
},
{
"strength": "w",
"units": "cm−1",
"value": "1646"
},
{
"strength": "s",
"units": "cm−1",
"value": "1592"
},
{
"strength": "m",
"units": "cm−1",
"value": "1538"
},
{
"strength": "w",
"units": "cm−1",
"value": "1519"
},
{
"strength": "m",
"units": "cm−1",
"value": "1495"
},
{
"strength": "s",
"units": "cm−1",
"value": "1438"
},
{
"strength": "s",
"units": "cm−1",
"value": "1390"
},
{
"strength": "m",
"units": "cm−1",
"value": "1324"
},
{
"strength": "m",
"units": "cm−1",
"value": "1254"
},
{
"strength": "m",
"units": "cm−1",
"value": "1212"
},
{
"strength": "m",
"units": "cm−1",
"value": "1167"
},
{
"strength": "m",
"units": "cm−1",
"value": "1145"
},
{
"strength": "m",
"units": "cm−1",
"value": "1118"
},
{
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}
],
"solvent": "KBr"
}
],
"labels": [
"10"
],
"melting_points": [
{
"units": "°C",
"value": "305.7"
}
],
"names": [
"9-(4-methoxyphenyl)-10-(4-(trifluoromethyl)phenyl)anthracene"
],
"nmr_spectra": [
{
"apparatus": "400 MHz Varian NMR",
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "C13",
"peaks": [
{
"shift": "159.10"
},
{
"shift": "137.69"
},
{
"shift": "134.99"
},
{
"shift": "132.28"
},
{
"shift": "131.76"
},
{
"shift": "130.78"
},
{
"shift": "130.14"
},
{
"shift": "129.63"
},
{
"shift": "127.22"
},
{
"shift": "126.31"
},
{
"shift": "125.43"
},
{
"shift": "125.40"
},
{
"shift": "125.02"
},
{
"shift": "113.90"
},
{
"shift": "55.39"
}
],
"solvent": "CDCl3"
},
{
"apparatus": "400 MHz Varian NMR",
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "F19",
"peaks": [
{
"shift": "−62.36"
}
],
"solvent": "CDCl3"
},
{
"apparatus": "400 MHz Varian NMR",
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "H1",
"peaks": [
{
"coupling": "7.9",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.88"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "7.79–7.75"
},
{
"coupling": "7.8",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.62"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "7.60–7.56"
},
{
"multiplicity": "m",
"number": "6H",
"shift": "7.41–7.33"
},
{
"coupling": "8.7",
"coupling_units": "Hz",
"multiplicity": "dt",
"number": "2H",
"shift": "7.15"
},
{
"multiplicity": "s",
"number": "3H",
"shift": "3.97"
}
],
"solvent": "CDCl3"
}
],
"quantum_yields": [
{
"solvent": "toluene",
"type": "Φf",
"value": "0.77±0.016"
}
],
"roles": [
"product",
"compounds"
],
"smiles": "COC1=CC=C(C=C1)C=1C2=CC=CC=C2C(=C2C=CC=CC12)C1=CC=C(C=C1)C(F)(F)F",
"uvvis_spectra": [
{
"peaks": [
{
"extinction": "1.23",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "1.30",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
},
{
"peaks": [
{
"extinction": "0.80",
"extinction_units": "× 10 − 4"
}
],
"solvent": "toluene"
}
]
},
{
"labels": [
"11"
],
"names": [
"2-(10-bromoanthracene-9-yl)thiophene"
],
"nmr_spectra": [
{
"apparatus": "400 MHz Varian NMR",
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "H1",
"peaks": [
{
"coupling": "8.9",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "8.59"
},
{
"coupling": "8.9",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.83"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "7.63–7.58"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "7.46–7.42"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "7.32–7.28"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "7.20–7.17"
}
],
"solvent": "CDCl3"
}
],
"roles": [
"product"
],
"smiles": "BrC1=C2C=CC=CC2=C(C2=CC=CC=C12)C=1SC=CC1"
},
{
"labels": [
"12"
],
"names": [
"9-bromo-10-(4-methoxyphenyl)anthracene"
],
"nmr_spectra": [
{
"apparatus": "400 MHz Varian NMR",
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "H1",
"peaks": [
{
"coupling": "9.5",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "8.60"
},
{
"coupling": "8.2",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.70"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "7.60–7.56"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "7.39–7.36"
},
{
"coupling": "7.5",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.31"
},
{
"coupling": "7.6",
"coupling_units": "Hz",
"multiplicity": "d",
"number": "2H",
"shift": "7.12"
},
{
"multiplicity": "s",
"number": "3H",
"shift": "3.95"
}
],
"solvent": "CDCl3"
}
],
"roles": [
"product"
],
"smiles": "BrC=1C2=CC=CC=C2C(=C2C=CC=CC12)C1=CC=C(C=C1)OC"
},
{
"names": [
"zinc octaethyl porphyrin",
"zinc octaethylporphyrin"
],
"smiles": "C(C)C1=C(C=2C=C3C(=C(C(=CC=4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)N4)CC)CC)N3)CC)CC)CC.[Zn]"
},
{
"names": [
"tri-o-tolylphosphine",
"tri-o-tolyl phosphine"
],
"smiles": "C1(=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C)C"
},
{
"names": [
"9-bromo-10-phenylanthracene",
"9-Bromo-10-phenylanthracene"
],
"smiles": "BrC=1C2=CC=CC=C2C(=C2C=CC=CC12)C1=CC=CC=C1"
},
{
"names": [
"phenyl",
"Phenyl"
],
"smiles": "C1(=CC=CC=C1)*"
},
{
"names": [
"palladium octaethylporphyrin",
"PdOEP"
],
"smiles": "C(C)C1=C(C=2C=C3C(=C(C(=CC=4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)N4)CC)CC)N3)CC)CC)CC.[Pd]"
},
{
"names": [
"anthracene",
"Anthracene"
],
"smiles": "C1=CC=CC2=CC3=CC=CC=C3C=C12"
},
{
"names": [
"PtOEP",
"platinum octaethylporphyrin"
],
"smiles": "C(C)C1=C(C=2C=C3C(=C(C(=CC=4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)N4)CC)CC)N3)CC)CC)CC.[Pt]"
},
{
"names": [
"aromatic phenyl"
]
},
{
"names": [
"metalloporphyrins"
]
},
{
"names": [
"Pd"
],
"smiles": "[Pd]"
},
{
"names": [
"Pt octaethylporphyrin"
]
},
{
"names": [
"platinum"
],
"smiles": "[Pt]"
},
{
"names": [
"quartz-halogen"
]
},
{
"names": [
"quartz"
],
"smiles": "O=[Si]=O"
},
{
"names": [
"thiophene-substitutents"
]
},
{
"names": [
"arylboronic acid"
]
},
{
"names": [
"2-Bu3Sn-thiophene"
]
},
{
"names": [
"Pd2(dba)3"
]
},
{
"names": [
"CF3-Ph-B(OR)2"
]
},
{
"names": [
"4-pyridine boronic acid pinacole ester"
]
},
{
"names": [
"Aliquat 336"
],
"smiles": "[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC"
},
{
"names": [
"MeOH"
],
"smiles": "CO"
},
{
"names": [
"C25H17N"
]
},
{
"names": [
"1538 ( m ) 1519 ( w ) 1495 ( m ) 1438 ( s ) 1390 ( s ) 1324 ( m ), 1254 ( m ) 1212"
]
},
{
"names": [
"4-(trifluoromethyl)phenyl boronic acid"
],
"smiles": "FC(C1=CC=C(C=C1)B(O)O)(F)F"
},
{
"names": [
"C27H17F3"
]
},
{
"names": [
"4-cyanophenyl boronic acid"
],
"smiles": "C(#N)C1=CC=C(C=C1)B(O)O"
},
{
"names": [
"ethanol"
],
"smiles": "C(C)O"
},
{
"names": [
"C27H17N"
]
},
{
"names": [
"C27H20O"
]
},
{
"names": [
"C24H16S"
]
},
{
"names": [
"C22H14S2"
]
},
{
"names": [
"C25H15F3S"
]
},
{
"names": [
"C27H19F3O"
]
},
{
"names": [
"thiophene–anthracene"
],
"smiles": "C1=CC=CC2=CC3=CC=CC=C3C=C12.S1C=CC=C1"
},
{
"names": [
"Na2CO3(aq)"
]
},
{
"names": [
"K2CO3(aq)"
]
},
{
"names": [
"phenyl-substituted anthracenes 3–6"
]
},
{
"names": [
"thiophenes"
]
},
{
"names": [
"anthracene–thiophene"
],
"smiles": "S1C=CC=C1.C1=CC=CC2=CC3=CC=CC=C3C=C12"
},
{
"names": [
"anthracene–phenyl"
]
},
{
"names": [
"diphenyl"
],
"smiles": "c1ccc(cc1)c2ccccc2"
},
{
"names": [
"trifluoro-substituted"
]
},
{
"names": [
"S2–S11"
]
},
{
"names": [
"aryl"
]
},
{
"names": [
"9,10-disubstituted anthracene"
]
},
{
"names": [
"diphenylanthracenes"
]
},
{
"names": [
"hydrogen"
],
"smiles": "[H]*"
},
{
"names": [
"hydrogens"
]
},
{
"names": [
"1,4,5,8-anthracene"
]
},
{
"names": [
"DMA"
],
"smiles": "CC(C)=CCO[P](O)(=O)O[P](O)(O)=O"
},
{
"names": [
"phenyl-substituted 9,10-anthracenes"
]
},
{
"names": [
"9,10-substituted anthracene"
]
},
{
"names": [
"C3SE"
]
},
{
"names": [
"S"
],
"smiles": "S"
},
{
"names": [
"oxygen"
],
"smiles": "[O]"
},
{
"names": [
"K2CO3"
]
},
{
"names": [
"DCM"
],
"smiles": "NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2"
},
{
"names": [
"4-methoxyphenyl boronic acid"
],
"smiles": "COC1=CC=C(C=C1)B(O)O"
},
{
"names": [
"ATR"
],
"smiles": "Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(O)=O"
},
{
"names": [
"4-(trifluoro)phenyl boronic acid"
]
},
{
"names": [
"2-(tertbutylstannyl)-thiophene"
],
"smiles": "C(C)(C)(C)[SnH2]C=1SC=CC1"
},
{
"names": [
"1H"
]
},
{
"names": [
"9-phenylanthracene"
],
"smiles": "C1(=CC=CC=C1)C=1C2=CC=CC=C2C=C2C=CC=CC12"
},
{
"names": [
"phenyl-substituents"
]
},
{
"names": [
"silica"
],
"smiles": "O=[Si]=O"
},
{
"names": [
"9,10-dibromoanthracene"
],
"smiles": "BrC=1C2=CC=CC=C2C(=C2C=CC=CC12)Br"
},
{
"names": [
"nitrogen"
],
"smiles": "[N]"
},
{
"names": [
"Na2CO3"
],
"smiles": "[Na+].[Na+].[O-]C([O-])=O"
},
{
"names": [
"H"
],
"smiles": "[H]"
},
{
"names": [
"2H"
]
},
{
"names": [
"thiophene"
],
"smiles": "S1C=CC=C1"
},
{
"names": [
"N2"
],
"smiles": "N#N"
},
{
"names": [
"Pd(PPh3)4"
]
},
{
"names": [
"Na2SO4"
],
"smiles": "[Na+].[Na+].[O-][S]([O-])(=O)=O"
},
{
"names": [
"hexane"
],
"smiles": "CCCCCC"
},
{
"names": [
"THF"
],
"smiles": "C1CCOC1"
},
{
"names": [
"anthracenes"
]
},
{
"names": [
"toluene"
],
"smiles": "C1(=CC=CC=C1)C"
},
{
"names": [
"CDCl3"
]
}
]
}
]