The complete conformational panorama of formanilide–water complexes: the role of water as a conformational switch
文献情報
Pablo Pinacho, Susana Blanco, Juan Carlos López
The microsolvated complexes of formanilide, generated in a supersonic expansion, have been observed by Fourier transform microwave spectroscopy. Three 1 : 1 and one 1 : 2 formanilide–water adducts have been observed and their structures characterized by the measurement of isotopologue rotational spectra. In one of the monohydrated complexes and in the dihydrated complex, formanilide adopts a cis-configuration. In these species water closes sequential cycles with the cis amino and carbonyl groups through a network of N–H⋯O and O–H⋯O hydrogen bonds. Furthermore, in these complexes cis-formanilide has almost the same non planar configuration observed in the monomer. In the two monohydrated complexes detected with trans-formanilide, a planar skeleton is detected with water interacting solely with either the amino (N–H··O bond) or the carbonyl group (O–H⋯OC bond). The observed tunnelling splittings show a rich intermolecular dynamics in those complexes. The results seem to indicate that complexation with water switches the configuration of formanilide from trans, which is more stable for the bare monomer, to cis, which is more stable for the hydrated complexes.
関連文献
Cu-catalyzed regioselective carbomagnesiation of dienes and enynes with sec- and tert-alkyl Grignard reagents
Hirohisa Todo, Jun Terao, Hideyuki Watanabe, Hitoshi Kuniyasu, Nobuaki Kambe
DOI: 10.1039/B716678H
Active peroxo titanium complexes: syntheses, characterization and their potential in the photooxidation of 2-propanol
Markus Rohe, Klaus Merz
DOI: 10.1039/B716199A
Regulation of α-chymotrypsin activity on the surface of substrate-functionalized gold nanoparticles
Chang-Cheng You, Rochelle R. Arvizo, Vincent M. Rotello
DOI: 10.1039/B605508G
Enantioselective synthesis of α-terpineol and nephthenol by intramolecular acyloxazolidinone enolate alkylations
Yinghua Jin, Robert M. Coates
DOI: 10.1039/B605346G
Simple dimer containing dissociatively stable mono-imidazole ligated ferrohemes
Qing-Zheng Yang, Daria Khvostichenko, John D. Atkinson, Roman Boulatov
DOI: 10.1039/B717858A
Photochromism of a diarylethene charge-transfer complex: photochemical control of intermolecular charge-transfer interaction
Masakazu Morimoto, Seiya Kobatake, Masahiro Irie
DOI: 10.1039/B604388G
Biomimetic synthesis of marine sponge metabolite spiculoic acid A and establishment of the absolute configuration of the natural product
James E. D. Kirkham, Victor Lee, Jack E. Baldwin
DOI: 10.1039/B607035C
A molecular 1 : 2 demultiplexer
Ezequiel Perez-Inestrosa, Jose-María Montenegro, Daniel Collado, Rafael Suau
DOI: 10.1039/B717690B
Second harmonic generation from multilayered hybrid polymer nanoassemblies enhanced by coupled surface plasmon resonance
Miki Ishifuji, Masaya Mitsuishi, Tokuji Miyashita
DOI: 10.1039/B714832A
こちらもおすすめ
6- bromo-1-cyclopropyl-1H-benzimidazoleの市場動向や研究トレンドはどうですか?
6- bromo-1-cyclopropyl-1H-benzimidazoleは、抗炎症、抗ウイルス作用を持つことが報告されており、新薬開発の研究対象として注目...
環氧プロpanol-d5を取り扱う際の実験室安全事項は何ですか?
取り扱う際には、防護眼鏡と手袋を使用し、ドラフトチャンバー内で操作することを推奨します。漏洩時には適切な手順で処理し、安全データシートを常に参照してください。
2,2’-ジメチル-3,3’-ビピリジンはどのように合成されますか?
2,2’-ジメチル-3,3’-ビピリジンは、ピリジンと2-メチルアクリルアミドを有機合成反応で合成します。この反応では、ピリジンと2-メチルアクリルアミドを含有...
6-甲基ピリジン-2-ボリック酸の主な用途は何ですか?
6-甲基ピリジン-2-ボリック酸は、合成化学、医薬品合成、以及研究用途などに広く使用され、特に組換えDNA技術や分子生物学の研究において重要な役割を果たします。
(R)-3-(1-甲基-2-氧環己基)プロpano酸メチルは安全ですか?
(R)-3-(1-甲基-2-氧環己基)プロpano酸メチルは一定の安全性がありますが、直接的な皮膚接触や吸入は避けるべきです。使用する際は適切な個々の安全データ...
ketorolacはどのように保存すればよいですか?
ketorolacは、密封して遮光容器に保管し、直射日光や高温を避けて保存してください。温度は常温で保存し、湿度をなるべく低く保つことが推奨されます。
L-2,3-二氨基丙酸二盐酸盐を取り扱う際の実験室安全事項は何ですか?
L-2,3-二氨基丙酸二盐酸盐は腐食性が強く、皮膚や粘膜に刺激を与える可能性があります。取り扱う際は、防塵マスク、ゴーグル、手袋を使用し、適切な排気設備を使用し...
2-(4-溴ピリジン-2-基)乙腈の物理化学的性質は何ですか?
2-(4-溴ピリジン-2-基)乙腈のCAS番号は312325-73-8です。主に結晶形態で存在し、分子量は159.01 g/molです。この化合物は水に溶けやす...
3-フローロ-[1,1-ベンジレン]-3,4-ジカルボン酸を取り扱う際の実験室安全事項は何ですか?
この化合物は毒性は低いですが、直接的な接触や吸入に注意が必要です。PPE(個人防護具)を着用し、ドラフトチャンバーを使用して操作することを推奨します。また、漏洩...
3-(1-氧代-1,3-二氢-2H-2-异吲哚)丙酸の主な用途は何ですか?
3-(1-氧代-1,3-二氢-2H-2-异吲哚)丙酸は、薬理学研究や医薬品製造において広く用いられる化合物です。また、工業的な用途でも一部の化学反応の触媒や助剤...
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.












![6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure 6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure](https://static.chemtradehub.com/structs/120/1203499-17-5-b4d1.webp)

