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Qing Jiang - One of the best experts on this subject based on the ideXlab platform.
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]annulen...
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure.
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Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A Bowl-Shaped Fragment of Fullerene C70 with Global Antiaromaticity
2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure
Ya Zou - One of the best experts on this subject based on the ideXlab platform.
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]annulen...
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure.
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Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A Bowl-Shaped Fragment of Fullerene C70 with Global Antiaromaticity
2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure
Yi Han - One of the best experts on this subject based on the ideXlab platform.
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cyclobis 2 5 thiophenedimethane 4 4 triphenylamine versus its s s dioxidized macrocycle global antiaromaticity and intramolecular dynamics
Organic Letters, 2021Co-Authors: Fernando Lopezgarcia, Yi Han, Shaoqiang Dong, Johnathan Joo Cheng Lee, Chunyan ChiAbstract:Fully conjugated macrocycles containing benzenoid rings rarely show global aromaticity/antiaromaticity. Herein, we report an Annulene-like macrocycle CBTT and its S,S-dioxidized macrocycle DOCBTT with alternative quinoidal thiophene/1,1-dioxide thiophene and triphenyl amine moieties. They both showed temperature-dependent intramolecular dynamics and global antiaromatic character with 32π electrons at low temperature. However, CBTT and DOCBTT have different conjugated pathways.
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]annulen...
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure.
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Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A Bowl-Shaped Fragment of Fullerene C70 with Global Antiaromaticity
2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure
Tullimilli Y Gopalakrishna - One of the best experts on this subject based on the ideXlab platform.
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]annulen...
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure.
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n cyclo para biphenylmethine polyradicaloids n Annulene analogs and unusual valence tautomerization
Chem, 2019Co-Authors: Atsuhiro Osuka, Maria Eugenia Sandovalsalinas, Takayuki Tanaka, Hoa Phan, Tun Seng Herng, Tullimilli Y Gopalakrishna, Jun Ding, David CasanovaAbstract:Summary Annulenes and their charged analogs play an important role in validating Huckel's aromaticity rule. Whereas Annulenes with [4n + 2] π electrons tend to delocalize π electron density, Annulenes with [4n] π electrons prefer to form local double bonds (bond alternation) resulting in two interconvertible valence isomers. However, it is very challenging to experimentally detect such a valence tautomerization process as a result of the very fast conversion. In this work, we synthesized a series of [n]cyclo-para-biphenylmethine macrocycles ([n]CPBM-An, n = 3–8) as analogs of [n]Annulenes and observed the unusual valence tautomerization process by variable-temperature NMR measurements for [4]CPBM-An, which showed a moderate interconversion barrier (11.22 kcal/mol at coalescence temperature) via a C4 tetraradicaloid transition state. These macrocycles showed [n]Annulene-like geometries but with unique open-shell polyradical character. Their optical, electrochemical, and magnetic properties were systematically investigated and compared with those of the recently studied [n]cyclo-para-phenylenes.
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Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A Bowl-Shaped Fragment of Fullerene C70 with Global Antiaromaticity
2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure
Wangdong Zeng - One of the best experts on this subject based on the ideXlab platform.
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]annulen...
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dicyclopenta 4 3 2 1 ghi 4 3 2 1 pqr perylene a bowl shaped fragment of fullerene c70 with global antiaromaticity
Journal of the American Chemical Society, 2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure.
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Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A Bowl-Shaped Fragment of Fullerene C70 with Global Antiaromaticity
2019Co-Authors: Ya Zou, Yi Han, Tullimilli Y Gopalakrishna, Wangdong Zeng, Qing JiangAbstract:Solution-phase synthesis of buckybowls remains a big challenge, and there are limited reports on the fragments of C70. Herein, we report a new basic subunit of C70 with C2v symmetry, the dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene (2CP-Per). Its aryl-substituted derivative 2CP-Per-Ar was synthesized and shows a bowl-shaped geometry according to X-ray crystallographic analysis. A fast bowl-to-bowl inversion process was observed above 183 K by variable temperature nuclear magnetic resonance (NMR), with a small inversion energy barrier. 2CP-Per-Ar displays amphoteric redox behavior with a small electrochemical energy gap (1.29 eV). Different from many other aromatic buckybowls, 2CP-Per exhibits global antiaromaticity with a strong paratropic ring current associated with the 16π-electrons rim, as revealed by NMR measurements and theoretic calculations. Its dianion is aromatic, similar to its isoelectronic structure coronene. Its dication is predicted to be aromatic, with a [6]Annulene-within-[14]Annulene structure