Attractive Interactions between Carbonyls and Groups Bearing Lone-pair Electrons in Triptycene Systems
نویسندگان
چکیده
منابع مشابه
Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs
The specific folding pattern and function of RNA molecules lies in various weak interactions, in addition to the strong base-base pairing and stacking. One of these relatively weak interactions, characterized by the stacking of the O4' atom of a ribose on top of the heterocycle ring of a nucleobase, has been known to occur but has largely been ignored in the description of RNA structures. We id...
متن کاملlone pair - and cation - interactions coexist ? A theoretical study
© Versita Sp. z o.o. Received 30 July 2010; Accepted 28 September 2010
متن کاملMolecular electrostatics for probing lone pair-π interactions.
An electrostatics-based approach has been proposed for probing the weak interactions between lone pair containing molecules and π deficient molecular systems. For electron-rich molecules, the negative minima in molecular electrostatic potential (MESP) topography give the location of electron localization and the MESP value at the minimum (Vmin) quantifies the electron-rich character of that reg...
متن کاملMutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study
In this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. X-ben||TAZ∙∙∙Y1,Y2,Y3 complexes (X = CN, F, Cl, Br, CH3 , OH and NH2, TAZ= s-triazine and Y1,Y2 and Y3 denotes PH2F, HSF, and ClF molecules) is introduced as a model. The results show that inte...
متن کاملQuantitative study of interactions between oxygen lone pair and aromatic rings: substituent effect and the importance of closeness of contact.
Current models describe aromatic rings as polar groups based on the fact that benzene and hexafluorobenzene are known to have large and permanent quadrupole moments. This report describes a quantitative study of the interactions between oxygen lone pair and aromatic rings. We found that even electron-rich aromatic rings and oxygen lone pairs exhibit attractive interactions. Free energies of int...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1982
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.55.159