Synthesis of α-Chiral Ketones and Chiral Alkanes Using Radical Polar Crossover Reactions of Vinyl Boron Ate Complexes [0.03%]
利用乙烯基硼配合物的极性交叉自由基反应合成α-手性酮和光学活性烷烃
Carolin Gerleve,Marvin Kischkewitz,Armido Studer
Carolin Gerleve
Vinyl boron ate complexes of enantioenriched secondary alkyl pinacolboronic esters undergo stereospecific radical-induced 1,2-migration in radical polar crossover reactions. In this three-component process various commercially available alk...
New deep cavitand with imidazoquinoxaline flaps: formation of static helical alkane inclusion complexes by enhanced CH/pi interactions [0.03%]
具有咪唑夸酮杂环翼片的新深腔体：通过增强的CH/π相互作用形成静态手性烷烃包合物
Heung-Jin Choi,Quoc-Thiet Nguyen,Yeon Sil Park et al.
Heung-Jin Choi et al.
A new deep imidazoquinoxaline cavitand formed static helical alkane inclusion complexes by CH/pi stabilization of alkanes with the enlarged aromatic pi surfaces of the cavity inside.
Calculation of conformational energies and optical rotation of the most simple chiral alkane [0.03%]
最简单手性烷烃构象能和旋光性的计算
Stefan Grimme,Christian Mück-Lichtenfeld
Stefan Grimme
Quantum chemical calculations have been performed to investigate the conformer distribution of 4-ethyl-4-methyloctane and its optical rotation. With the reference methods MP2 and SCS-MP2, the energies of seven conformers are found within a ...
Determination of absolute configuration using density functional theory calculation of optical rotation: chiral alkanes [0.03%]
基于光学活性计算的绝对构型确定方法——以手性烷烃为例
D M McCann,P J Stephens,J R Cheeseman
D M McCann
The recently developed Gauge-Invariant (Including) Atomic Orbital (GIAO) based Time-Dependent Density Functional Theory (TDDFT) methodology for the calculation of transparent spectral region optical rotations of chiral molecules provides a ...