Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes

文献情報

出版日 2017-06-05

DOI 10.1039/C7CP02442H

インパクトファクター 3.676

著者

Rachel M. Abaskharon, Bei Ding, Jianxin Chen

原文を見る

要旨

The CO/CN stretching vibration arising from a carbonyl/nitrile functional group in various molecular systems has been frequently used to assess, for example, local hydrogen-bonding interactions, among other applications. However, in practice it is not always easy to ascertain whether the carbonyl or nitrile group in question is engaged in such interactions. Herein, we use 4-cyanoindole and cyclopentanone as models to show that, when a fundamental CO or CN stretching mode is involved in Fermi resonance, the underlying vibrational coupling constant (W) is a convenient reporter of the hydrogen-bonding status of the corresponding carbonyl or nitrile group. Specifically, we find that for both groups a W value of 7.7 cm−1 or greater is indicative of their involvement in hydrogen-bonding interactions. Furthermore, we find that, as observed in similar studies, the Fermi resonance coupling leads to quantum beats in the two-dimensional infrared spectra of 4-cyanoindole in isopropanol, with a period of about 1.9 ps.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes

文献情報

おすすめジャーナル

関連文献

Development of ultra-high affinity bivalent ligands targeting the polo-like kinase 1‡

Apparent ‘electrocatalytic’ activity of multiwalled carbon nanotubes in the detection of the anaesthetic halothane: occluded copper nanoparticles

Systematic optimization of exhaustive electrokinetic injection combined with micellar sweeping in capillary electrophoresis

Front cover

Inside back cover

Lipid cartography of atherosclerotic plaque by cluster-TOF-SIMS imaging

Conservation of the insert-2 motif confers Rev1 from different species with an ability to disrupt G-quadruplexes and stimulate translesion DNA synthesis

Introduction to the themed collection on XNA xeno-nucleic acids

Synthesis of multi-module low density lipoprotein receptor class A domains with acid labile cyanopyridiniumylides (CyPY) as aspartic acid masking groups

Accurate fluorescent polymeric thermometers containing an ionic component

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？

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？

8-氯-4-色原酮の代替品はありますか？

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-カルボキシレートとは何ですか？

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？

維库溴铵杂质Bはどのように合成されますか？

2-(4-氟苄基)-吡咯烷の物理化学的性質は何ですか？

3-喹啉甲醛（2-チロール-8-エチル）は安全ですか？

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どのように保存すればよいですか？

哌拉西林杂质Dは安全ですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

1-Chloro-6,6-dimethyl-2-hepten-4-yne

Ethyl 4-oxo-1-piperidinecarboxylate

N-Benzyl-N,N-dimethyl-1-tetradecanaminium chloride

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1)

Dimethyl 5-nitroisophthalate

おすすめサプライヤー