Results 91 to 100 of about 2,296 (262)

Theoretical calculation of the optical anisotropy of substituted cyclohexanes and associated bisphenyl molecules using experimentally derived group polarizabilities

, 2003
A general method for the formulation of polarizability tensor and computation of optical anisotropy of a series of substituted cyclohexanes and their bisphenyl fragments, which are model analogues of corresponding polymers is presented.
Sulatha, M. S., Natarajan, U., Sivaram, S.   +2 more
core   +1 more source

Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation

Chemistry – A European Journal, EarlyView.
Solvent effects: vibrational circular dichroism (VCD) revealed pronounced solvent‐induced conformational shifts for a tetradentate salen ligand in CDCl3, a solvent generally considered benign. Contrary to the DFT prediction of a single dominant conformer family, quantum cluster growth together with the genetic algorithm guided VCD analysis uncovered ...
Amanda Nhi Tran, Mutasem Alshalalfeh, Colton D. Carlson, Andra Aniţa Radu, Vlad Ţeposu, Joseph Cheramy, Lili Zeng, Hui Zhang, Valentin Paul Nicu, Yunjie Xu   +9 more
wiley   +1 more source

Asymmetric organocatalytic relay cascades: catalyst-controlled stereoisomer selection in the synthesis of functionalized cyclohexanes.

, 2009
(figure represented) Passing the baton: A relay cascade process provides cyclohexanes in a direct, efficient, and stereoselective manner. The triple-cascade reaction is efficient, affords high selectivities, and has a broad scope, and different ...
Wang, Y, Dixon, Darren, Peng‐Fei Xu, Yao Wang, Xu, PF, Zhao, YL, Dixon, DJ, Darren J. Dixon, Yong‐Long Zhao, Yang, S, Rong‐Gang Han, Han, RG, Shu Yang   +12 more
core   +1 more source

Accessing Sn≥2 States of a TADF Emitter by Femtosecond NIR Spectroscopy

Chemistry – A European Journal, EarlyView.
The depicted thermally activated delayed fluorescence (TADF) emitter was studied by femtosecond near‐infrared (NIR) spectroscopy. A prominent NIR transition was shown to be strongly solvent‐dependent, with implication for intersystem crossing in the compound.
Wiebke Haselbach, Jasmin Matthes, Andreas Prüfer, Simon L. Zimmermann, Monika Flörke, Thomas J. J. Müller, Peter Gilch, Barbara E. Nogueira de Faria   +7 more
wiley   +1 more source

Theoretical Calculation of the Optical Anisotropy of Substituted Cyclohexanes and Associated Bisphenyl Molecules Using Experimentally Derived Group Polarizabilities

, 2016
A general method for the formulation of polarizability tensor and computation of optical anisotropy of a series of substituted cyclohexanes and their bisphenyl fragments, which are model analogues of corresponding polymers is presented.
U. Natarajan (3051318), M. S. Sulatha (2228995), S. Sivaram (2090290)   +2 more
core   +1 more source

Monosubstituted N‐Arylhydroxylamine Chemistry: Integrating Contemporary Synthetic Approaches for the Efficient Construction of Diverse Heterocyclic Scaffolds

Chemistry – A European Journal, EarlyView.
Monosubstituted N‐arylhydroxylamines represent a unique subclass of hydroxylamines that act as pivotal intermediates in redox transformations and as versatile platforms for further synthetic transformations. They serve as key building blocks in the synthesis of architecturally complex heterocycles and other valuable organic compounds.
Michael G. Kallitsakis, Kyriakos D. Nikopoulos, Ioannis N. Lykakis   +2 more
wiley   +1 more source

Si─Si Bonding in an Unsupported N‐Heterocyclic Silylene Dimer Stabilized by an Iminophosphorane‐Based Scorpionate Ligand Versus Head‐to‐Tail Coordination in the Sn and Pb Tetrylenes

Chemistry – A European Journal, EarlyView.
A new iminophosphorane‐based scorpionate ligand enabled the characterization of a head‐to‐head silylene dimer with unsupported Si─Si bonding, whereas the tetrylene species of Sn and Pb afforded head‐to‐tail coordination polymers in the solid state. ABSTRACT N,N‐chelating ligands disfavor element–element bonding in heavier alkene analogs of group 13 and
Huanhuan Dong, Rochelle Ferns, Luke W. Giles, Lea Fohlmeister, Connor Bourne, Samuel R. Lawrence, Aidan P. McKay, Alexandra M. Z. Slawin, David B. Cordes, Tanja van Mourik, Andreas Stasch   +10 more
wiley   +1 more source

Ti(II)-Mediated Tandem Inter- and Intramolecular Coupling Reaction of Unsaturated Hydrocarbons:  One-Pot Preparation of Cyclopentanes and Cyclohexanes from Readily Available Acyclic Starting Materials

, 2016
Ti(II)-Mediated Tandem Inter- and Intramolecular Coupling Reaction of Unsaturated Hydrocarbons:  One-Pot Preparation of Cyclopentanes and Cyclohexanes from Readily Available Acyclic Starting ...
Sentaro Okamoto (1702069), Fumie Sato (2681434), Kandasamy Subburaj (2982975)   +2 more
core   +1 more source

Assessing Benzene Dimer Interactions in Solution With a Molecular Balance

Chemistry – A European Journal, EarlyView.
The Gecko in the ToC was generated with Canva (31.03.2025 11:00 pm), the remaining graphics by the authors. ABSTRACT We present a combined experimental and computational study of a 1,4/1,6‐dibenzyl substituted cyclooctatetraene (COT)‐based molecular balance as a model to assess the benzene dimer interactions in solution.
Marvin H. J. Domanski, Michael Fuhrmann, Nils F. Hacket, Heike Hausmann, Peter R. Schreiner   +4 more
wiley   +1 more source

Configuration- and Conformation-Dependent Electronic-Structure Variations in 1,4-Disubstituted Cyclohexanes Enabled by a Carbon-to-Silicon Exchange

, 2014
Cyclohexane, with its well-defined conformers, could be an ideal force-controlled molecular switch if it were to display substantial differences in electronic and optical properties between its conformers.
Ott, Sascha,, Löfås, Henrik, Wallner, Andreas,, Marschner, Christoph,, Löfås, Henrik,, Ahuja, Rajeev,, Wallner, Andreas, Emanuelsson, Rikard,, Grigoriev, Anton, Marschner, Christoph, Baumgartner, Judith, Ottosson, Henrik,, Ottosson, Henrik, Emanuelsson, Rikard, Nauroozi, Djawed, Nauroozi, Djawed,, Ott, Sascha, Grigoriev, Anton,, Baumgartner, Judith,   +18 more
core   +1 more source