Academic literature on the topic 'Lone pair-π interactions'

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Journal articles on the topic "Lone pair-π interactions"

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Silva, Rui F. N., Antônio César S. Sacco, Ignez Caracelli, Julio Zukerman-Schpector та Edward R. T. Tiekink. "Sulfur(lone-pair)…π interactions with FAD in flavoenzymes". Zeitschrift für Kristallographie - Crystalline Materials 233, № 8 (2018): 531–37. http://dx.doi.org/10.1515/zkri-2018-2064.

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AbstractThe interactions of π-systems with lone-pairs of electrons are known and have been described in biological systems, involving lone-pairs derived from metals, metalloids, sulfur, oxygen and nitrogen. This study describes a bibliographic survey of the disulfide-bound sulfur(lone-pair) interactions with π-systems residing in the flavin adenine dinucleotide (FAD) cofactor of oxidoreductase enzymes (flavoenzymes). Thus, of the 172 oxidoreductase enzymes evaluated for gamma-S(lone-pair)…π(FAD) interactions, 96 proteins (56%) exhibited these interactions corresponding; 61% of 350 the constitu
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Zukerman-Schpector, Julio, та Edward R. T. Tiekink. "On the role of DMSO-O(lone pair)⋯π(arene), DMSO-S(lone pair)⋯π(arene) and SO⋯π(arene) interactions in the crystal structures of dimethyl sulphoxide (DMSO) solvates". CrystEngComm 16, № 28 (2014): 6398–407. http://dx.doi.org/10.1039/c4ce00305e.

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Das, Amrita, Somnath Ray Choudhury, Biswajit Dey та ін. "Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions". Journal of Physical Chemistry B 114, № 15 (2010): 4998–5009. http://dx.doi.org/10.1021/jp911884x.

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Estarellas, Carolina, Antonio Frontera, David Quiñonero та Pere Deyà. "Can lone pair-π and cation-π interactions coexist? A theoretical study". Open Chemistry 9, № 1 (2011): 25–34. http://dx.doi.org/10.2478/s11532-010-0127-7.

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AbstractThe interplay between two important noncovalent interactions involving different aromatic rings is studied by means of ab initio calculations (MP2/6-31++G**) computing the non-additivity energies. In this study we demonstrate the existence of cooperativity effects when cation-π and lone pair-π interactions coexist in the same system. These effects are studied theoretically using energetic and geometric features of the complexes. In addition we use Bader’s theory of atoms-in-molecules and Molecular Interaction Potential with polarization (MIPp) partition scheme to characterize the inter
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Yannacone, Seth, Marek Freindorf, Yunwen Tao, Wenli Zou та Elfi Kraka. "Local Vibrational Mode Analysis of π–Hole Interactions between Aryl Donors and Small Molecule Acceptors". Crystals 10, № 7 (2020): 556. http://dx.doi.org/10.3390/cryst10070556.

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11 aryl–lone pair and three aryl–anion π –hole interactions are investigated, along with the argon–benzene dimer and water dimer as reference compounds, utilizing the local vibrational mode theory, originally introduced by Konkoli and Cremer, to quantify the strength of the π –hole interaction in terms of a new local vibrational mode stretching force constant between the two engaged monomers, which can be conveniently used to compare different π –hole systems. Several factors have emerged which influence strength of the π –hole interactions, including aryl substituent effects, the chemical nat
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You, Ming-Hua, Xiong Yuan, Xin Fang та Mei-Jin Lin. "Lone pair–π interactions in naphthalene diimide π-acid dyes". Supramolecular Chemistry 27, № 7-8 (2014): 460–64. http://dx.doi.org/10.1080/10610278.2014.984714.

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Novotný, Jan, Sophia Bazzi, Radek Marek та Jiří Kozelka. "Lone-pair–π interactions: analysis of the physical origin and biological implications". Physical Chemistry Chemical Physics 18, № 28 (2016): 19472–81. http://dx.doi.org/10.1039/c6cp01524g.

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Lone-pair–π (lp–π) interactions can differ in strength and origin. Water–indole, water–uracil, and chloride–TCB lp–π interactions have very different electrostatic (ES), polarization (POL), charge transfer (CT), and dispersion (DISP) components.
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Mohan, Neetha, Cherumuttathu H. Suresh, Anmol Kumar та Shridhar R. Gadre. "Molecular electrostatics for probing lone pair–π interactions". Physical Chemistry Chemical Physics 15, № 42 (2013): 18401. http://dx.doi.org/10.1039/c3cp53379d.

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Mooibroek, Tiddo J., Patrick Gamez та Jan Reedijk. "Lone pair–π interactions: a new supramolecular bond?" CrystEngComm 10, № 11 (2008): 1501. http://dx.doi.org/10.1039/b812026a.

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Montoro, Teresa, Gloria Tardajos, Andrés Guerrero та ін. "σ-Hole⋯π and lone pair⋯π interactions in benzylic halides". Organic & Biomolecular Chemistry 13, № 22 (2015): 6194–202. http://dx.doi.org/10.1039/c5ob00366k.

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Depending on the relative orientation of the halogen atom and the phenyl ring, the benzylic halides studied show “classical” halogen⋯π bonds as well as intramolecular interactions without σ-hole participation based on n → π* (LP⋯π) interactions.
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Book chapters on the topic "Lone pair-π interactions"

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Gadre, Shridhar R., and Anmol Kumar. "Understanding Lone Pair-π Interactions from Electrostatic Viewpoint." In Challenges and Advances in Computational Chemistry and Physics. Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-14163-3_13.

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Haiduc, Ionel, Edward R. T. Tiekink, and Julio Zukerman-Schpector. "Supramolecular Aggregation Patterns and Stereochemical Consequences of Tellurium(Lone Pair)…π(Aryl) Interactions." In The Importance of Pi-Interactions in Crystal Engineering. John Wiley & Sons, Ltd, 2012. http://dx.doi.org/10.1002/9781119945888.ch12.

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Mingos, D. M. P. "Dewar-Chatt–Duncanson bonding model." In Essentials of Inorganic Chemistry 2. Oxford University Press, 1998. http://dx.doi.org/10.1093/hesc/9780198559184.003.0004.

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This chapter evaluates the Dewar–Chatt–Duncanson bonding model. In classical Werner coordination complexes, the metal-ligand bond is described in terms of donation from a lone pair on the ligand to an empty orbital on the metal. Alkenes and alkynes have no lone pairs and form only very weak complexes with traditional Lewis Acids, but they form stable complexes with transition metals in low oxidation states. The Dewar–Chatt–Duncanson bonding model rationalizes these observations by proposing that the bonding in metal–alkene complexes depends on synergic interactions similar to those found in me
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"14. Solute–solvent interactions mediated by main group element(lone-pair)···π(aryl) interactions." In Multi-Component Crystals. De Gruyter, 2017. http://dx.doi.org/10.1515/9783110464955-014.

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Zukerman-Schpector, Julio, Ionel Haiduc, and Edward R. T. Tiekink. "Supramolecular Self-assembly of Transition Metal Carbonyl Molecules Through M–CO(Lone Pair)…π(Arene) Interactions." In Advances in Organometallic Chemistry Volume 60. Elsevier, 2012. http://dx.doi.org/10.1016/b978-0-12-396970-5.00002-5.

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Mota, Fernando, Juan J. Novoa, and Joel S. Miller. "Long, Multicenter Bonds in Radical Anion π-dimers." In Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering. The Royal Society of Chemistry, 2017. http://dx.doi.org/10.1039/bk9781782621737-00595.

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Long, multicenter C–C bonds (LMBs) are a new sub-class of bonds that can occur between a pair of neutral or charged radicals, and, similar to covalent bonds, result in a diamagnetic compound. LMBs were first established for the eclipsed, cofacial π-[TCNE]22− (TCNE=tetracyanoethylene). A systematic analysis of the properties of the long multicenter bond in the prototypical π-[TCNE]22− dimer, where the long, multicenter bond connects two radical anions, has been established by using high level ab initio methods. The results obtained show that LMBs share the most fundamental properties of intermo
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Conference papers on the topic "Lone pair-π interactions"

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Gu, Ying, Pengbo Li, Qihuang Gong, and Guangcan Guo. "Quantum Memory, Quantum Phase Gate and Polarization Entangled Photon Pairs in a Coherent Atomic System." In Workshop on Entanglement and Quantum Decoherence. Optica Publishing Group, 2008. http://dx.doi.org/10.1364/weqd.2008.qia2.

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It is known that photons are the ideal carriers of quantum information and ensemble of atoms can be acted as the long lived storage and processing units. In the coherently prepared atomic ensemble with the light resonantly interacting with the atoms, various schemes have been proposed to implement quantum state transfer and storage, quantum phase gate, generation of entangled photons, and the long-distance quantum communication [1]. We first proposed the dark-state polaritons in a five-level M-type atomic ensemble in the electro magnetically induced transparency (EIT) [2], Under conditions of
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