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Unveiling the Hypervalent Electronic Structure of Main Group Zwitterions: Ylides or Ylenes? A DFT Study

Journal of Computational Chemistry
This study uses density functional theory (DFT) calculations at the M06‐2X/6–311 + G(d,p) level to explore the potential of main group non‐metals (X = O, N, S, P) to form hypervalent ylides (RmX+–YRn−2−). Substituent effects (R = alkoxy, alkyl, phenyl, H,
Mathew Saumini, C. Suresh
semanticscholar   +1 more source

Creation of Excitation-Driven Hypervalent Tin(IV) Compounds For Aggregation-Induced Emission and Application to Thermoresponsive Luminescent Films below Freezing Point.

Chemistry - An Asian Journal
Although many researchers have devoted their much effort to establish the strategy for developing a stimuli-responsive molecule and tuning of their properties according to the preprogrammed design, it is still challenging to create desired molecules from
Kazuo Tanaka   +3 more
semanticscholar   +1 more source

Merging the Reactivity of (Pseudo)cyclic Hypervalent Iodine Reagents and Carbenes or Carbenoids

Synthesis
In this short review, we present applications merging the reactivity of cyclic hypervalent iodine reagents with carbenes and carbenoids developed in the period 2014–2024. The use of more stable cyclic hypervalent iodine reagents has led to major advances
Nieves P. Ramirez, J. Waser
semanticscholar   +1 more source

Water-Soluble Hypervalent Iodine(III) Having an I-N Bond. A Reagent for the Synthesis of Indoles.

Organic Letters, 2018
A readily accessible and bench-stable water-soluble hypervalent iodine(III) reagent ( phenyl iodonio) sulfam ate (PISA) with an I-N bond was synthesized, and its structure was characterized by X-ray crystallography.
H. Xia   +3 more
semanticscholar   +1 more source

Methionine-Specific Bioconjugation for Single-Molecule Force Spectroscopy of Cell Surface Proteins.

ACS Nano
Cell surface proteins play crucial roles in various cellular processes, including intercellular communication, adhesion, and immune responses. However, investigating these proteins using single-molecule force spectroscopy (SMFS) has been hindered by ...
Junsheng Zhang   +5 more
semanticscholar   +1 more source

Elusive hypervalent phosphorusπ interactions: evidence for paradigm transformation from hydrogen to phosphorus bonding at low temperatures.

Physical Chemistry, Chemical Physics - PCCP, 2019
The π electron systems are the conventional electron donors to the hydrogen acceptors in hydrogen bonding. Apart from the hydrogen atom, halogens, chalcogens, pnicogens and triel/tetrel atoms can also be envisaged as electron acceptors involving π clouds.
P. Sruthi   +3 more
semanticscholar   +1 more source

Organocatalytic Group Transfer Reactions with Hypervalent Iodine Reagents

Synthesis, 2018
In recent years, a plethora of synthetic methods that employ hypervalent iodine compounds donating an atom or a group of atoms to an acceptor molecule have been developed.
M. Kalek, M. Ghosh, A. Rajkiewicz
semanticscholar   +1 more source

Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures.

Acta Crystallographica Section C Structural Chemistry, 2019
Two novel hypervalent selenium(IV) compounds stabilized by intramolecular interactions, namely 6-phenyl-6,7-dihydro-5H-2,3-dioxa-2aλ4-selenacyclopenta[hi]indene, C14H12O2Se, 14, and 5-phenyl-5,6-dihydro-4H-benzo[c][1,2]oxaselenole-7-carbaldehyde ...
K. Venkateshwaran   +4 more
semanticscholar   +1 more source

The conjunction of aromaticity and hypervalency: the C5H5SF3 molecule 1,1,1-trifluorothiabenzene

Journal of Molecular Structure: THEOCHEM, 1991
Abstract Ab initio quantum mechanical methods have been applied to the molecule formed via the intimate union of benzene and sulfur hexafluoride. The self-consistent-field (SCF) method has been used with a full double zeta (DZ) basis extended by a set of d functions on sulfur and also with the DZ basis extended by polarization functions on all ...
Yaoming Xie   +2 more
openaire   +1 more source

Sulfuranes Lacking Benzoannelation. Sulfuranes and Other Hypervalent Molecules Studied by 17O-NMR

The Journal of Organic Chemistry, 1999
The rates of hydrolysis of benzoannelated vs nonbenzoannelated sulfuranes, viz. 5 vs 3 or 5 vs 4, were compared. Benzoannelation was found to provide very modest kinetic stabilization. Crystal structures of sulfuranes 3 and 4 were obtained and compared with each other, with a dibenzoannelated sulfurane, 17, and with a non-sulfurane analogue of 4.
Zwei-Chang, Ho   +3 more
openaire   +2 more sources

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