“Tschitschibabin type biradicals”: benzenoid or quinoid?
文献情報
Prince Ravat, Martin Baumgarten
Our findings provide a better understanding of the discrepancies related to the discussion in the literature on the ground state of Tschitschibabin's hydrocarbon. A series of phenylene bridged bisnitroxide molecules were designed and studied for the comparison. The simple theoretical and experimental methodologies have been developed and utilized to understand the singlet biradicaloids which exist in semi-quinoid form and exhibits characteristics of biradicaloid and quinoid form simultaneously.
関連文献
Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study
Antonio Bauzá, Antonio Frontera
DOI: 10.1039/C6CP03862J
The unique Raman fingerprint of boron nitride substitution patterns in graphene
Marco Lorenz, Daniele Pullini, Mauro Sgroi
DOI: 10.1039/C6CP02101H
Effects of halogen doping on nanocarbon catalysts synthesized by a solution plasma process for the oxygen reduction reaction
Yuta Wada, Satoshi Chiba, Sou Kumagai, Hoonseung Lee, Ai Serizawa, Oi Lun Li, Gasidit Panomsuwan
DOI: 10.1039/C6CP03579E
Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides
Bolong Huang, Jianfu Li, Zhenyi Jiang, Bo Wang, Zhigang Wang, Rui-Qin Zhang
DOI: 10.1039/C5CP02598B
A multiscale mechanism of drug release from polymeric matrices: confirmation through a nonlinear theoretical model
E. S. Bacaita, M. Agop
DOI: 10.1039/C6CP02259F
Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study
Miao-Miao Li, Jin-Feng Li, Hongcun Bai, Yin-Yin Sun, Jian-Li Li, Bing Yin
DOI: 10.1039/C5CP03155A
Experimental approach to the fundamental limit of the extinction coefficients of ultra-smooth and highly spherical gold nanoparticles
Dong-Kwan Kim, Yoon Jo Hwang, Cheolho Yoon, Hye-On Yoon, Ki Soo Chang, Gi-Ra Yi
DOI: 10.1039/C5CP02968F
Correlation of three-liquid-phase equilibria involving ionic liquids
I. Rodríguez-Escontrela, A. Arce, A. Soto, A. Marcilla, M. M. Olaya, J. A. Reyes-Labarta
DOI: 10.1039/C6CP03467E
こちらもおすすめ
1-{3-[5-(エチルカルボンイル)-2,4-ジメチル-1H-ピロロール-3-基]プロパニル}ピペリジン-4-カルボン酸について、適用される法規ガイドラインは何ですか?
この化合物はCAS番号1142209-81-1であり、GHS分類では corrosive (腐食性物質) と classified (分類物質) として指定され...
2,2-二氟-1,3-ベンゾジオキサン-5-カルボキシlic酸とは何ですか?
2,2-二氟-1,3-ベンゾジオキサン-5-カルボキシlic酸は、CAS番号656-46-2の化合物で、化学式はC8H4F2O4です。この化合物は白色の結晶性粉...
8-氯-4-色原酮の代替品はありますか?
8-氯-4-色原酮(CAS番号: 49701-11-3)の代替品には、他の色原酮類似物や、構造が似ている化合物があります。例えば、8-メチル-4-色原酮や、他の...
エチル6,6-ジメチル-4,5,6,7-テトラヒドロ-1H-インドアゼー-3-カルボキシレートとは何ですか?
エチル6,6-ジメチル-4,5,6,7-テトラヒドロ-1H-インドアゼー-3-カルボキシレートは、CAS番号1233243-56-5を有する化合物です。これは有...
4-叔丁基-6-氯-嘧啶に適用される法規ガイドラインは何ですか?
4-叔丁基-6-氯-嘧啶はCAS番号3435-24-3で、GHS分類では毒性物質とみなし、GHSの危険性分類が適用されます。REACH規則では登録が必要で、Eu...
維库溴铵杂质Bはどのように合成されますか?
維库溴铵杂质Bは、アンドロステンデンから始まり、一連の合成反応、包括的な選択性と高い収率で合成されます。具体的には、ブロミド化、酸化、ジマーゼ反応、アミド化など...
2-(4-氟苄基)-吡咯烷の物理化学的性質は何ですか?
CAS番号350017-04-8の2-(4-氟苄基)-吡咯烷は、結晶性の白色粉末です。分子量は199.17 g/molで、水に溶けにくいです。化学反応では比較的...
3-喹啉甲醛(2-チロール-8-エチル)は安全ですか?
3-喹啉甲醛(2-チロール-8-エチル)は一定の毒性を持つため、取扱には注意が必要です。使用する際は適切な防護具を着用し、密閉容器で保管・搬送し、直接的な接触を...
エチル3-(ヒドロキシメチル)-1H-ピロール-2-カルボキシレートはどのように保存すればよいですか?
エチル3-(ヒドロキシメチル)-1H-ピロール-2-カルボキシレートは、室温(25℃)以下で保存し、直射日光を避け、乾燥した環境で保管することが推奨されます。ま...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid structure 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid structure](https://static.chemtradehub.com/structs/773/77359-11-6-0d04.webp)

![2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure](https://static.chemtradehub.com/structs/253/25332-39-2-496e.webp)

![1-(Hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl 3-phenylacrylate structure 1-(Hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl 3-phenylacrylate structure](https://static.chemtradehub.com/structs/192/19210-12-9-ecae.webp)