Zirconate pyrochlores under high pressure
文献情報
F. X. Zhang, M. Lang, Rodney C. Ewing
Ab initio total-energy calculations and X-ray diffraction measurements have been combined to study the phase stability of zirconate pyrochlores (A2Zr2O7; A = La, Nd and Sm) under pressures up to 50 GPa. Phase transformations to the defect-cotunnite structure are theoretically predicted at pressures of 22, 20 and 18 GPa, in excellent agreement with the experimentally determined values of 21, 22 and 18 GPa for La2Zr2O7, Nd2Zr2O7 and Sm2Zr2O7, respectively. Analysis of the elastic properties indicates that elastic anisotropy may be one of the driving forces for the pressure-induced cubic-to-noncubic phase transformation.
関連文献
Questioning the γ-gauche effect: stereoassignment of 1,3-disubstituted-tetrahydro-β-carbolines using 1H–1H coupling constants
Kristýna Cagašová, Maryam Ghavami, Zhong-Ke Yao, Paul R. Carlier
DOI: 10.1039/C9OB01139K
Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers
Manoj D. Patil, Rai-Shung Liu
DOI: 10.1039/C9OB00468H
Metal-free POCl3 promoted stereoselective hydrochlorination of ethynylated azaheterocycles
Radhey M. Singh
DOI: 10.1039/C9OB00841A
Allylic azides: synthesis, reactivity, and the Winstein rearrangement
Angela S. Carlson, Joseph J. Topczewski
DOI: 10.1039/C8OB03178A
An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I2-induced tandem oxidative transformation
Deepika Kathuria, Pankaj Gupta, Sumit S. Chourasiya, Subash C. Sahoo, Uwe Beifuss, Asit K. Chakraborti, Prasad V. Bharatam
DOI: 10.1039/C9OB00610A
Synthesis, bioactivity, and enzymatic modification of antibacterial thiotetromycin derivatives
Marlene L. Rothe, Ernesto Garibay, Shaun M. K. McKinnie
DOI: 10.1039/C8OB03109F
Correction: Enantiomeric NMR discrimination of carboxylic acids using actinomycin D as a chiral solvating agent
Liwen Bai, Pian Chen, Jiangxia Xiang, Jiarui Sun, Xinxiang Lei
DOI: 10.1039/C9OB90055A
Total synthesis of spiromastilactone A
Pauline Chaumont-Olive, Jacques Maddaluno, Anne Harrison-Marchand
DOI: 10.1039/C9OB00547A
The palladium(ii)-catalyzed regioselective ortho-C–H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration
Yogesh Jaiswal, Yogesh Kumar, Amit Kumar
DOI: 10.1039/C9OB01082C
こちらもおすすめ
2,5-二羧基氟苯の市場動向や研究トレンドはどうですか?
2,5-二羧基氟苯の市場は、主に医薬品および農薬の研究開発において伸長しています。一方、環境への影響や安全性の懸念から、その使用は一定の制限が置かれています。今...
8-甲基-2-噻吩-2-基-喹啉-4-羧酸を含む廃棄物はどのように処理すべきですか?
8-甲基-2-噻吩-2-基-喹啉-4-羧酸を含む廃棄物は専門的な廃棄処理が必要です。具体的には、廃棄物は密閉の容器に収集し、適切な危険物対策を講じて専門業者に引...
2-(1,3-二氧杂烷-2-基)噻唑の物理化学的性質は何ですか?
CAS番号24295-04-3の2-(1,3-二氧杂烷-2-基)噻唑は、結晶形態により白色粉末を呈します。分子量は208.23 g/molであり、水に溶けにくい...
L-beta-高酪氨酸塩酸塩は安全ですか?
L-beta-高酪氨酸塩酸塩自体は毒性は低く、しかし使用する際は適切な個人保護具を使用し、誤飲や皮膚への接触を避けることが推奨されます。
睡茄灯笼草素Cはどのように合成されますか?
睡茄灯笼草素Cは、シクラメンケチャナfromaceaeから抽出する方法や、化学合成法で合成することができます。典型的な化学合成法では、3β,22-二オキシエクス...
4-(嘧啶-2-基)哌嗪-1-羧酸叔丁酯はどのように保存すればよいですか?
4-(嘧啶-2-基)哌嗪-1-羧酸叔丁酯は直射日光を避けて、室温で保存するのが良いです。湿度を避けて密閉容器に入れて保管し、未使用の状態で長期保存することができ...
NBI-74330の主な用途は何ですか?
NBI-74330は主に薬理学研究および医療用途に使用されています。その主な用途は抗がん作用を有するため、がん治療の研究に使用されています。
6-トリフルオロメチル-2-クロロピリジン-4-ボリリック酸はどのように合成されますか?
6-トリフルオロメチル-2-クロロピリジン-4-ボリリック酸は、6-トリフルオロメチル-2-クロロピリジンとボリルリチウムを触媒なしで反応させることで合成するこ...
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.










![4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione structure 4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione structure](https://static.chemtradehub.com/structs/110/1104546-89-5-a600.webp)



![[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid structure [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid structure](https://static.chemtradehub.com/structs/870/870777-20-1-24ac.webp)