Hydrogen Bonding Directed Reversal of 13C NMR Chemical Shielding
The deshielding or downfield 13C NMR chemical shift of amide carbonyl carbon upon H‐
bonding is a widely observed phenomenon. This downfield shift is commonly used as a …
bonding is a widely observed phenomenon. This downfield shift is commonly used as a …
Computational Insight into the Nature and Strength of the π-Hole Type Chalcogen∙∙∙Chalcogen Interactions in the XO2∙∙∙CH3YCH3 Complexes (X = S, Se, Te; Y = O …
F Lei, Q Liu, Y Zhong, X Cui, J Yu, Z Hu, G Feng… - International Journal of …, 2023 - mdpi.com
In recent years, the non-covalent interactions between chalcogen centers have aroused
substantial research interest because of their potential applications in organocatalysis …
substantial research interest because of their potential applications in organocatalysis …
Hydrogen bond interactions between thioethers and amides: A joint rotational spectroscopic and theoretical study of the formamide⋯ dimethyl sulfide adduct
The rotational spectrum of the binary adduct of formamide (HCONH 2) with dimethyl sulfide
(DMS) has been investigated employing cavity-based Fourier transform microwave …
(DMS) has been investigated employing cavity-based Fourier transform microwave …
Excited states of polonium (iv): electron correlation and spin–orbit coupling in the Po 4+ free ion and in the bare and solvated [PoCl 5]− and [PoCl 6] 2− complexes
Polonium (Po, Z= 84) is a main-block element with poorly known physico-chemical
properties. Not much information has been firmly acquired since its discovery by Marie and …
properties. Not much information has been firmly acquired since its discovery by Marie and …
Synthesis and performance study of PAM-g-PAA/PHEA and its application in purifying tellurium aerosol
M Xiao, F Liu, J Zhan, Y Wang, C Chen, Y Zhou… - Journal of Environmental …, 2023 - Elsevier
In this study, grafted polymers (PAM-g-PAA/PHEA) with different grafting rates are prepared
by solution method grafting polymer with polyacrylamide as the main chain, acrylic acid (AA) …
by solution method grafting polymer with polyacrylamide as the main chain, acrylic acid (AA) …
Halogen Bonding to the π‐Systems of Polycyclic Aromatics
A Amonov, S Scheiner - ChemPhysChem, 2024 - Wiley Online Library
The propensity of the π‐electron system lying above a polycyclic aromatic system to engage
in a halogen bond is examined by DFT calculations. Prototype Lewis acid CF3I is placed …
in a halogen bond is examined by DFT calculations. Prototype Lewis acid CF3I is placed …
Cooperation of Peripheral Hydrogen Atoms for the Stabilization of Aachno-pentaborane (11) with Small Molecules: Hydrogen Bonds and Dihydrogen Bonds
M Salehnassaj, M Nikoorazm… - … Electronic Journal of …, 2023 - periodicos.ufms.br
Abstract Post-Hartree-Fock calculations performed at the MP2/aug-cc-pVDZ level of theory
has been used to analyze the formation of intermolecular complexes between B 5 H 11 and …
has been used to analyze the formation of intermolecular complexes between B 5 H 11 and …