A Design Principle for Polar Assemblies with C3 -Sym Bowl-Shaped π-Conjugated Molecules
© 2020 Wiley-VCH GmbH..
Polar materials attract wide research interest due to their unique properties, such as ferroelectricity and the bulk photovoltaic effect (BPVE), which are not accessible with nonpolar materials. However, in general, rationally designing polar materials is difficult because nonpolar materials are more favorable in terms of dipole-dipole interactions. Here, we report a rational strategy to form polar assemblies with bowl-shaped π-conjugated molecules and a molecular design principle for this strategy. We synthesized and thoroughly characterized 12 single crystals with the help of various theoretical calculations. Furthermore, we demonstrated that it can be possible to predict whether polar assemblies become more favorable or not by estimating their lattice energies. We believe that this study contributes to the development of organic polar materials and their related studies.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2021 |
|---|---|
| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:60 |
|---|---|
| Enthalten in: |
Angewandte Chemie (International ed. in English) - 60(2021), 6 vom: 08. Feb., Seite 3261-3267 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Zhang, Cheng [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Bowl-shaped π-conjugated molecule |
|---|
| Anmerkungen: |
Date Revised 22.02.2021 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
|---|
| doi: |
10.1002/anie.202013333 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM316670405 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM316670405 | ||
| 003 | DE-627 | ||
| 005 | 20231225161606.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231225s2021 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1002/anie.202013333 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1055.xml |
| 035 | |a (DE-627)NLM316670405 | ||
| 035 | |a (NLM)33098203 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Zhang, Cheng |e verfasserin |4 aut | |
| 245 | 1 | 2 | |a A Design Principle for Polar Assemblies with C3 -Sym Bowl-Shaped π-Conjugated Molecules |
| 264 | 1 | |c 2021 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Revised 22.02.2021 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2020 Wiley-VCH GmbH. | ||
| 520 | |a Polar materials attract wide research interest due to their unique properties, such as ferroelectricity and the bulk photovoltaic effect (BPVE), which are not accessible with nonpolar materials. However, in general, rationally designing polar materials is difficult because nonpolar materials are more favorable in terms of dipole-dipole interactions. Here, we report a rational strategy to form polar assemblies with bowl-shaped π-conjugated molecules and a molecular design principle for this strategy. We synthesized and thoroughly characterized 12 single crystals with the help of various theoretical calculations. Furthermore, we demonstrated that it can be possible to predict whether polar assemblies become more favorable or not by estimating their lattice energies. We believe that this study contributes to the development of organic polar materials and their related studies | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a C3-sym | |
| 650 | 4 | |a bowl-shaped π-conjugated molecule | |
| 650 | 4 | |a crystal engineering | |
| 650 | 4 | |a polar assembly | |
| 700 | 1 | |a Guo, Yuan |e verfasserin |4 aut | |
| 700 | 1 | |a He, Dan |e verfasserin |4 aut | |
| 700 | 1 | |a Komiya, Jouji |e verfasserin |4 aut | |
| 700 | 1 | |a Watanabe, Go |e verfasserin |4 aut | |
| 700 | 1 | |a Ogaki, Takuya |e verfasserin |4 aut | |
| 700 | 1 | |a Wang, Chengyuan |e verfasserin |4 aut | |
| 700 | 1 | |a Nihonyanagi, Atsuko |e verfasserin |4 aut | |
| 700 | 1 | |a Inuzuka, Hiroyuki |e verfasserin |4 aut | |
| 700 | 1 | |a Gong, Hao |e verfasserin |4 aut | |
| 700 | 1 | |a Yi, Yuanping |e verfasserin |4 aut | |
| 700 | 1 | |a Takimiya, Kazuo |e verfasserin |4 aut | |
| 700 | 1 | |a Hashizume, Daisuke |e verfasserin |4 aut | |
| 700 | 1 | |a Miyajima, Daigo |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Angewandte Chemie (International ed. in English) |d 1964 |g 60(2021), 6 vom: 08. Feb., Seite 3261-3267 |w (DE-627)NLM000105422 |x 1521-3773 |7 nnns |
| 773 | 1 | 8 | |g volume:60 |g year:2021 |g number:6 |g day:08 |g month:02 |g pages:3261-3267 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1002/anie.202013333 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 60 |j 2021 |e 6 |b 08 |c 02 |h 3261-3267 | ||