Hydrogen bonding and structure of uracil–water and thymine–water complexes‡
Literature Information
Juan Carlos López, José Luis Alonso, Isabel Peña, Vanesa Vaquero
The complexes uracil–water and thymine–water have been investigated using laser ablation molecular-beam Fourier transform microwave (LA-MBFTMW) spectroscopy. Only one conformer of each complex has been observed. The spectra of the parent and several isotopically enriched species with 15N at uracil moiety and D or 18O at water have been measured. For uracil–water the spectra are characterized by the hyperfine structure of two 14N nuclei. For thymine–water only the parent and 18O-water enriched species have been observed. Their spectra are characterized by the hyperfine structure of two 14N nuclei with an additional doubling due to the A and E states of the torsion of the methyl group. The barrier to internal rotation of the methyl group has been determined from the analysis of the spectrum. Investigation of the structure of the adducts from the rotational constants of the different isotopologues shows that the observed conformers correspond to the most stable forms in which water closes a cycle with the nucleic acid bases forming N–HNB⋯Ow and HW⋯OC2 hydrogen bonds.
Related Literature
Highly regioselective and diastereoselective epoxidation of allylic amines with Oxone
Varinder K. Aggarwal, Guang Yu Fang
DOI: 10.1039/B503516C
Efficient solid-phase synthesis of fullero-peptides using Merrifield strategy
Alberto Bianco
DOI: 10.1039/B504659A
Supramolecular electronics; nanowires from self-assembled π-conjugated systems
Albertus P. H. J. Schenning, E. W. Meijer
DOI: 10.1039/B501804H
A readily prepared neutral heterobimetallic titanium(iv)–rhodium(i) catalyst for intramolecular hydroacylation
John P. Morgan, Kousik Kundu, Michael P. Doyle
DOI: 10.1039/B504195C
Synthesis, characterization and FET properties of novel dithiazolylbenzothiadiazole derivatives
Md. Akhtaruzzaman, Naoto Kamata, Jun-ichi Nishida, Shinji Ando, Hirokazu Tada, Masaaki Tomura, Yoshiro Yamashita
DOI: 10.1039/B503814F
New routes to manganese higher-nuclearity topologies: synthesis of the cluster [Mn8(μ4-O)4(phpz)8(thf)4]
Stefania Tanase, Guillem Aromí, Elisabeth Bouwman, Huub Kooijman, Anthony L. Spek, Jan Reedijk
DOI: 10.1039/B504215A
Rhodium/diene-catalyzed asymmetric 1,4-addition of arylboronic acids to α,β-unsaturated Weinreb amides
Ryo Shintani, Takahiro Kimura, Tamio Hayashi
DOI: 10.1039/B502921J
Mild methods to assemble and pattern organic monolayers on hydrogen-terminated Si(111)
Samer N. Arafat, Samrat Dutta, Mathew Perring, Michael Mitchell, Paul J. A. Kenis, Ned B. Bowden
DOI: 10.1039/B503271G
A total synthesis of (±)-α-cyclopiazonic acid using a cationic cascade
Charlotte M. Haskins, David W. Knight
DOI: 10.1039/B417625C
You might also like
How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?
2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...
Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...
What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?
(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...
What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?
2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...
What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?
When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...
What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?
When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...
What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?
4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...
What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?
3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...
What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?
(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...
What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?
Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...
Source Journal
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.













![Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure](https://static.chemtradehub.com/structs/130/1305320-60-8-84b4.webp)
