Conformational steering in dicarboxy acids: the native structure of succinic acid‡
文献情報
Michaela K. Jahn, Estibaliz Méndez, K. P. Rajappan Nair, Peter D. Godfrey, Don McNaughton, Patricia Écija, Francisco J. Basterretxea, Emilio J. Cocinero, Jens-Uwe Grabow
Succinic acid, a dicarboxylic acid molecule, has been investigated spectroscopically with computational support to elucidate the complex aspects of its conformational composition. Due to the torsional freedom of the carbon backbone and hydroxy groups, a large number of potentially plausible conformers can be generated with an indication that the gauche conformer is favored over the trans form. The microwave and millimeter wave spectra have been analyzed and accurate spectroscopic constants have been derived that correlate best with those of the lowest energy gauche conformer. For an unambiguous conformational identification measurements were extended to the monosubstituted isotopologues, precisely determining the structural properties. Besides bond distances and angles, particularly the dihedral angle has been determined to be 67.76(11)°, confirming the anomalous tendency of the methylene units to favor gauche conformers when a short aliphatic segment is placed between two carbonyl groups.
関連文献
A flexible insulator of a hollow SiO2 sphere and polyimide hybrid for flexible OLEDs
Min Kyu Kim, Dong Won Kim, Dong Wook Shin, Sang Joon Seo, Ho Kyoon Chung
DOI: 10.1039/C4CP04266B
Protic ionic liquids (PILs) nanostructure and physicochemical properties: development of high-throughput methodology for PIL creation and property screens
Benjamin W. Muir, Shaun C. Howard, Nigel Kirby
DOI: 10.1039/C4CP04241G
A high-temperature dielectric process as a probe of large-scale silica filler structure in simplified industrial nanocomposites
Angel Alegria, Marc Couty
DOI: 10.1039/C4CP04597A
Detecting free hemoglobin in blood plasma and serum with luminescent terbium complexes
Frank Morgner, Alexandre Lecointre, Loïc J. Charbonnière, Hans-Gerd Löhmannsröben
DOI: 10.1039/C4CP04206A
Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid
Valentina Migliorati, Alessandra Serva, Giuliana Aquilanti, Luca Olivi, Sakura Pascarelli, Olivier Mathon, Paola D'Angelo
DOI: 10.1039/C4CP04406A
Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation
Xiuchan Xiao, Xiaojun Zeng, Yuan Yuan, Nan Gao, Yanzhi Guo, Xuemei Pu, Menglong Li
DOI: 10.1039/C4CP04528A
Connecting supramolecular bond lifetime and network mobility for scratch healing in poly(butyl acrylate) ionomers containing sodium, zinc and cobalt
Ranjita K. Bose, Nico Hohlbein, Santiago J. Garcia, Annette M. Schmidt, Sybrand van der Zwaag
DOI: 10.1039/C4CP04015E
How determinant is N-terminal to C-terminal coupling for protein folding?
Heinrich Krobath, Patrícia F. N. Faísca
DOI: 10.1039/C4CP05178E
Behind the color switching in gasochromic VO2
Jeng-Lung Chen, Chun-Chieh Chang, Chi Liang Chen, Chih-Chin Hsu, Wei-Luen Jang, Da-Hua Wei, Chung-Li Dong, Chih-Wen Pao, Jyh-Fu Lee, Jin-Ming Chen, Jinghua Guo, Maw-Kuen Wu
DOI: 10.1039/C4CP04623D
こちらもおすすめ
オステニ二甲磺酸塩に適用される法規ガイドラインは何ですか?
オステニ二甲磺酸塩は、GHS分類に基づき corrosive 物質として分類されます。REACH規則では、該当物質の登録が要求される可能性があります。また、FD...
環丁基肼盐酸盐は安全ですか?
環丁基肼盐酸盐は毒性があり、吸入や皮膚接触は有害です。使用時の安全対策として、密閉システムを使用し、適切な排気設備を備えた場所で作業することが推奨されます。
N-(4-パリドン基ソニルフェニル)硫代イソシアネートを取り扱う際の実験室安全事項は何ですか?
N-(4-パリドン基ソニルフェニル)硫代イソシアネートは高毒性で、皮膚や吸入による毒性があります。取り扱う際は防毒マスク、保護用手袋、保護眼鏡などのPPEを着用...
5-ヒドロキシ-1,3-ジヒドロ-2H-インドン-2-酮の物理化学的性質は何ですか?
CAS番号3416-18-0の5-ヒドロキシ-1,3-ジヒドロ-2H-インドン-2-酮は、結晶性の白色粉末です。分子量は228.25であり、 aqueous m...
O-苄基-D-丝氨醇はどのように合成されますか?
O-苄基-D-丝氨醇は、D-アミノ酸とベンゼン環の経由で合成されます。触媒としてジメチルアミノピリジンが使用され、選択性は高いです。一般的な収率は約90%です。
ナトリウム3-ヒドロキシbutano酸とは何ですか?
ナトリウム3-ヒドロキシbutano酸は、CAS番号13613-65-5で登録されている化合物です。この化合物は、(3R)-3-ヒドロキシbutano酸とナトリ...
1-(二苯甲基)-4-甲基ベンゼンの物理化学的性質は何ですか?
CAS番号603-37-2の1-(二苯甲基)-4-甲基ベンゼンは、結晶性の固体で、分子量は244.28であり、水中的には微溶です。この化合物は有機反応において中...
ネアミン塩酸塩の物理化学的性質は何ですか?
ネアミン塩酸塩の分子量は321.19であり、結晶性の白色粉末です。この化合物は水に溶けやすく、pHが低くなると不溶性になります。反応活性は高く、水溶液中の酸化還...
偶氮二甲酰二哌啶の主な用途は何ですか?
偶氮二甲酰二哌啶は、医薬品、染料、高 Então 剤、触媒、溶媒、量論試薬など、様々な分野で使用されています。特に、高 Enough 反応において、グリコール酸...
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.










![2-Methyl-2-propanyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate structure 2-Methyl-2-propanyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate structure](https://static.chemtradehub.com/structs/131/1312456-05-5-9a15.webp)



