Weak distance dependence of through-bond interactions in tetrahydro-4H-thiopyran-4-ylidene end-capped oligo(cyclohexylidenes); a computational survey
Literature Information
Cornelis A. van Walree, Alwin W. Marsman, Joop H. van Lenthe, Leonardus W. Jenneskens
Calculations on members of the oligo(cyclohexylidene) series [1(n), n = 1–5)] and related tetrahydro-4H-thiopyran end-capped analogues [2(n), n = 1–4)] show a strong through-bond coupling between their π bonds and sulfur lone pairs (LpπS). This coupling is mediated by an interaction between the H(ax)–C–C–H(ax) structural sub-units and the π bonds connecting the cyclohexyl moieties. A comparison of the length dependency of the through-bond coupling via an oligo(cyclohexylidene) and an alkane bridge [divinyl alkanes 3(n)] shows that oligo(cyclohexylidenes) are more efficient in mediating through-bond couplings over large distances. Oligo(cyclohexylidene) bridges exhibit molecular wire characteristics.
Recommended Journals

Nature Medicine

Russian Journal of General Chemistry

Acta Materialia

Drug Discovery Today

Current Opinion in Solid State & Materials Science

Russian Journal of Coordination Chemistry

Chemistry Education Research and Practice

New Journal of Chemistry

Saudi Pharmaceutical Journal

Current Opinion in Colloid & Interface Science
Related Literature
Tailoring polymer dispersity by mixing ATRP initiators
Kostas Parkatzidis, Manon Rolland, Nghia P. Truong, Athina Anastasaki
DOI: 10.1039/D1PY01044A
Single-chain crosslinked polymers via the transesterification of folded polymers: from efficient synthesis to crystallinity control
Daiki Ito, Yoshihiko Kimura, Makoto Ouchi, Takaya Terashima
DOI: 10.1039/D0PY00758G
A highly hydrophilic cation exchange nonwoven with a further modifiable epoxy group prepared by radiation-induced graft polymerization
Xiao-han Pan, Jian-hua Zu
DOI: 10.1039/D1PY00866H
Semiaromatic polyamides with enhanced charge carrier mobility
Bilal Özen, Nicolas Candau, Cansel Temiz, Ferdinand C. Grozema, Grégory Stoclet, Christopher J. G. Plummer, Holger Frauenrath
DOI: 10.1039/D1PY01203G
Mechanically robust and reprocessable imine exchange networks from modular polyester pre-polymers
Rachel L. Snyder, Claire A. L. Lidston, Guilhem X. De Hoe, Maria J. S. Parvulescu, Marc A. Hillmyer, Geoffrey W. Coates
DOI: 10.1039/C9PY01957J
Identifying competitive tin- or metal-free catalyst combinations to tailor polyurethane prepolymer and network properties
Priscilla Arnould, Lionel Bosco, Federico Sanz, Frédéric N. Simon, Stéphane Fouquay, Guillaume Michaud, Jean Raynaud, Vincent Monteil
DOI: 10.1039/D0PY00864H
Nanoengineering with RAFT polymers: from nanocomposite design to applications
Wentao Peng, Yingying Cai, Luise Fanslau, Philipp Vana
DOI: 10.1039/D1PY01172C
Balancing the transesterification reactivity of isosorbide with diphenyl carbonate: preferential activation of exo-OH
Ming Zhang, Yifei Tu, Zibo Zhou, Guozhang Wu
DOI: 10.1039/D0PY00764A
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
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.



![5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure 5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure](https://static.chemtradehub.com/structs/251/251903-00-1-9cb1.webp)
