• Issue
    Volume 21, Issue 13
    1340-1482
    July 2, 2020

Cover Pictures

Free Access

Front Cover: Chiral, Thermally Irreversible and Quasi-Stealth Photochromic Dopant to Control Selective Reflection Wavelength of Cholesteric Liquid Crystal (ChemPhysChem 13/2020)

  • Pages: 1340
  • First Published: 02 July 2020
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The Front Cover shows the generation of a colored image, whose origin is the UV-controlled selective reflection of visible light from a cholesteric liquid crystal containing chiral photochromic molecules. More information can be found in the Article by Yasushi Yokoyama and co-workers.

Free Access

Cover Feature: Synthesis of Metastable Inorganic Solids with Extended Structures (ChemPhysChem 13/2020)

  • Pages: 1341
  • First Published: 02 July 2020
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The Cover Feature shows a conceptual energy landscape and potential compounds. The binary compounds in the canyon are thermodynamically stable. The ternary compounds in local depressions in the landscape, consisting of intergrowths of the thermodynamically stable binary compounds, are metastable with respect to disproportionation into the binary compounds. More information can be found in the Review by Dmitri Leo M. Cordova and Prof. David C. Johnson.

Free Access

Cover Feature: Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar-Planar, Planar-Spherical and Spherical-Spherical Aromatics (ChemPhysChem 13/2020)

  • Pages: 1342
  • First Published: 02 July 2020
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The Cover Feature illustrates a journey from flatland to 3D-space, showcasing research by Prof. Alvaro Muñoz-Castro at the Facultad de Ingeniería, Universidad Autónoma de Chile, Chile (photo credit: Steve Baxter). Dual planar-planar, planar-spherical, and spherical-spherical species show two separate aromatic regimes sharing shielding regions of moderate strength. More information can be found in the Article by Alvaro Muñoz-Castro.

Cover Profile

Free Access

Chiral, Thermally Irreversible and Quasi-Stealth Photochromic Dopant to Control Selective Reflection Wavelength of Cholesteric Liquid Crystal

  • Pages: 1343-1344
  • First Published: 02 July 2020
Description unavailable

“A chiral and thermally irreversible photochromic fulgide derivative incorporating an (R)-binaphthol unit in its acid anhydride moiety was used for the photoswitching of the pitch length of cholesteric liquid crystals…” This and more about the story behind the front cover can be found in the Article at 10.1002/cphc.202000309.

Reviews

Very Important Paper

Synthesis of Metastable Inorganic Solids with Extended Structures

  • Pages: 1345-1368
  • First Published: 28 April 2020
Description unavailable

Different solid-state synthetic methods are presented and the way how an “energy landscape” approach can be applied to reaction pathways is discussed. The authors highlight the diversity of reaction mechanisms behind the synthesis of metastable phases, which are local free energy minima in the free energy landscape, in contrast to traditional solid-state synthesis, which involves little reaction control.

Communications

Induced Protic Behaviour in Aprotonic Ionic Liquids by Anion Basicity for Efficient Carbon Dioxide Capture

  • Pages: 1369-1374
  • First Published: 18 May 2020
Description unavailable

An in-depth insight into the interactions between “aprotonic” ionic liquids with water mixtures, which questions our fundamental understanding of what is considered a protic and aprotonic ionic liquid depends on anion selection. The presence of strong hydrogen bond accepting (basic) anions allows for induced protic behaviour in a typically considered aprotonic cation. This in turn promotes significantly greater CO2 uptake by chemisorption.

Articles

Chiral, Thermally Irreversible and Quasi-Stealth Photochromic Dopant to Control Selective Reflection Wavelength of Cholesteric Liquid Crystal

  • Pages: 1375-1383
  • First Published: 06 May 2020
Description unavailable

From red to blue: A fulgide derivative possessing a chiral (R)-binaphthyl group was used for the photoresponsive dopant of the cholesteric liquid crystal to control the selective reflection light wavelength in the visible light region. Since the absorption bands of both photoisomers are mostly in the UV region, the system could be exposed to visible light. Attempts to transfer this system to polymer-dispersed cholesteric liquid crystal thin films are also discussed.

Very Important Paper

Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar-Planar, Planar-Spherical and Spherical-Spherical Aromatics

  • Pages: 1384-1387
  • First Published: 15 May 2020
Description unavailable

From flatland to space! Dual planar-planar, planar-spherical, and spherical-spherical species given by biphenyl, [PhCB11H11], and [CB11H11]22−, respectively shows two separate aromatic regimes given by Clar's sextet and spherical aromatic states, with independent shielding cones sharing shielding regions of moderate strength.

Open Access

Long-Lived Triplet Excited State Accessed with Spin–Orbit Charge Transfer Intersystem Crossing in Red Light-Absorbing Phenoxazine-Styryl BODIPY Electron Donor/Acceptor Dyads

  • Pages: 1388-1401
  • First Published: 11 May 2020
Description unavailable

Long-lived triplet stateT=333 μs) was attained via the SOCT-ISC mechanism for red light-absorbing compact, orthogonal electron donor/acceptor dyads with phenoxazine as electron donor and bisstyryl BODIPY chromophore as electron acceptor. The triplet state lifetime is185-fold longer than the triplet state of the same chromophore accessed with the traditional heavy atom effect (τT=1.8 μs).

Ultrafast Dynamics of the Transoid-cis Isomer Formed in Photochromic Reaction from 3H-Naphthopyran

  • Pages: 1402-1407
  • First Published: 13 May 2020
Description unavailable

Competing with isomerization: Photoexcitation is followed by efficient S1→S0 internal conversion (major) proceeding through S1/S0 conical intersection in competition with transoid-cis→transoid-trans isomerization. Increase in the internal conversion rate may reduce yield of the unwanted transoid-trans form in the photochromic reaction of 3H-naphthopyrans.

Insight into Out-of-Layer Fluctuations in the Smectic A Stability of 3,5-Diarylisoxazole Liquid Crystals

  • Pages: 1408-1419
  • First Published: 28 May 2020
Description unavailable

Out-of layer fluctuations are turbulences at the interface of layered liquid crystals driven by intermolecular interactions. Instabilities of the interface in an SmA mesophase are analyzed by X-ray diffraction. For hydroxyl-terminated isoxazole liquid crystals (ILCs), the sequence SmA to SmC mesophase is favored by lateral diffusion, while longitudinal diffusion favors the sequence SmA to SmB mesophase for bromine-terminated ILCs.

Molecular Motions and Interactions in Aqueous Solutions of Thymosin-β4, Stabilin CTD and Their 1 : 1 Complex, Studied by 1H-NMR Spectroscopy

  • Pages: 1420-1428
  • First Published: 29 May 2020
Description unavailable

Proteins wide shut: Thymosin-β4 forms a complex with stabilin CTD, reflected by properties of mobile hydration water. The complex is more disordered than its constituting proteins, with Stabilin CTD being the most compact. Interaction sites belonging to hydrophilic parts of solvent accessible surface are involved in interactions holding the complex together. Hydration water, mobile at low potential barriers, is attributed to ordered protein structural patterns ranging from 10 to 20 %.

Very Important Paper

Formation of H3+ in Collisions of H2+ with H2 Studied in a Guided Ion Beam Instrument

  • Pages: 1429-1435
  • First Published: 11 May 2020
Description unavailable

A new Guided Ion Beam apparatus has been used to study the reaction H2++H2 → H3++H. In contrast to previous recommendations, our results show that there is no steep decline of the cross section above ET=2 eV. A new analytical function is proposed.

Accurate Backbone 13C and 15N Chemical Shift Tensors in Galectin-3 Determined by MAS NMR and QM/MM: Details of Structure and Environment Matter

  • Pages: 1436-1443
  • First Published: 03 May 2020
Description unavailable

Experimentally determined backbone 13Cα and 15NH chemical shift tensors, obtained by magic-angle-spinning nuclear magnetic resonance spectroscopy, are compared with theoretical values determined by hybrid quantum mechanics/molecular mechanics/molecular dynamics calculations for the carbohydrate-binding domain of galectin-3.

Structure Effects on the Ionicity of Protic Ionic Liquids

  • Pages: 1444-1454
  • First Published: 22 May 2020
Description unavailable

Influential structure: Protic ionic liquids (PILs) based on primary or tertiary amine cations and simple carboxylic acid anions, or salicylic acid, have been synthesised and characterised, revealing the influence of structural aspects (hydrogen bonding ability, alkyl chain length and degree of branching) on the transport properties and ionicity.

Very Important Paper

Coordination Dynamics of Zinc Triggers the Rate Determining Proton Transfer in Human Carbonic Anhydrase II

  • Pages: 1455-1473
  • First Published: 24 April 2020
Description unavailable

The kinetics of rate determining proton transfer reaction in the enzyme human carbonic anhydrase (HCA) II is reported using advanced computer simulation studies. In addition to a stable tetra-coordinated state, the catalytic zinc ion at the active site of HCA II is found to populate a transient penta-coordinated state by binding to an extra water molecule. This transient state facilitates a preferential deprotonation of the equatorial water molecule bonded to zinc and formation of a short path for a facile proton transfer with a correct rate constant.

Open Access

In situ Surface Charge Density Visualization of Self-assembled DNA Nanostructures after Ion Exchange

  • Pages: 1474-1482
  • First Published: 24 April 2020
Description unavailable

DNA charge density: The charge density of DNA is a determining factor in strand hybridization and interactions with other molecules in biological systems. Here, the visualization of surface charge density of DNA origami nanostructures is presented under biological relevant conditions using scanning ion conductance microscopy. The findings can be used in the study of surface charge density of DNA origami nanostructure conjugates at the single molecule level.