Consequences of conformational flexibility in hydrogen-bond-driven self-assembly processes.
نویسندگان
چکیده
We report the synthesis and self-assembly of chiral, conformationally flexible C3-symmetrical trisamides. A strong Cotton effect is observed for the supramolecular polymers in linear alkanes but not in cyclic alkanes. MD simulations suggest 2 : 1 conformations of the amides within the aggregates in both types of solvents, but a chiral bias in only linear alkanes.
منابع مشابه
Quantum Chemical Investigations on C14C10-Branched-Chain Glucoside Isomers Towards Understanding Self-Assembly
Density Functional Theory (DFT) calculations have been carried out using a Polarizable Continuum Model (PCM) in an attempt to investigate the electro-molecular properties of branched-chain glucoside (C14C10-D-glucoside) isomers. The results showed that αconfiguration of pyranoside form is thermodynamically the most stable, while the solution should contain much more β...
متن کاملConformational adaptation in supramolecular assembly on surfaces.
Supramolecular chemistry provides an original approach to nanoscience and nanotechnology by its intrinsically molecularlevel control of self-assembly processes. The spontaneous but controlled generation of complex supramolecular entities from suitably designed molecular components opens the way to the efficient—because extremely parallel—bottom-up construction of supramolecular architectures, w...
متن کاملIsomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study
Molecular structure, isomerism, conformational stability and intramolecular hydrogen bonding (IHB) of cis-enol forms of 1-(n-pyridyl)butane-1,3-diones (nPBD) (n = 2, 3, or 4) have been investigated by means of density functional theory (DFT) calculations. Energy differences for all possible nPBD cis-enol forms of isomers with respect to the most stable form of the correspondin...
متن کاملCoding a coordination-driven self-assembly via a hydrogen bond-directed solid-state synthesis: an unexpected chiral tetrahedral capsule.
An achiral ligand, synthesized in the solid state via a coded hydrogen bond-directed organic synthesis, self-assembles with Cu(II) ions to form a chiral tetrahedral capsule that hosts an anion as a guest.
متن کاملExploring the programmable assembly of a polyoxometalate-organic hybrid via metal ion coordination.
The conformational flexibility and programmed assembly of a dumbbell-shaped polyoxometalate-organic hybrid molecule comprising two Dawson-type polyoxometalates linked by a 2,2'-bipyridine unit, which can be coordinate to metal ions, in this case of Zn(2+), are described. SAXS, UV/vis, and NMR spectroscopic techniques confirm that the hybrid molecules exist as the trans dumbbell in metal-ion-fre...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Chemical communications
دوره 52 72 شماره
صفحات -
تاریخ انتشار 2016