Henri Queffélec et la musique

Queffelec, Anne

doi:10.4000/books.pur.34152

Cited by 3 publications

(4 citation statements)

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“…13a,b 3.3.2 Ligand Steric Effect-Me 6 TREN (L5) is another highly effective and commonly employed ligand in Cu-ATRP. 42 When replacing all N-methyl substituents with ethyl groups (L4, Et 6 TREN), the ATRP reactivity dramatically decreases (Table 2). Considering their similar electronic properties, this series of ligands was chosen to study the ligand steric effect on reactivity.…”

Section: Ligand Electronic Effect-threementioning

confidence: 99%

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

et al. 2019

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Copper-catalyzed atom transfer radical polymerization (Cu-ATRP) is one of the most widely used controlled radical polymerization techniques. Notwithstanding the extensive mechanistic studies in the literature, the transition states of the activation/deactivation of the growing polymer chain, a key equilibrium in Cu-ATRP, have not been investigated computationally. Therefore, the understanding of the origin of ligand and initiator effects on the rates of activation/deactivation is still limited. Here, we present the first computational analysis of Cu-ATRP activation transition states to reveal factors that affect the rates of activation and deactivation. The Br atom transfer between the polymer chain and the Cu catalyst occurs through an unusual bent geometry that involves pronounced interactions between the polymer chain end and the ancillary ligand on the Cu catalyst. Therefore, the rates of activation/deactivation are determined by both the electronic properties of the Cu catalyst and the ligand-initiator steric repulsions. In addition, our calculations revealed the important role of ligand backbone flexibility on the activation. These theoretical analyses led to the identification of three chemically meaningful descriptors, namely HOMO energy of the catalyst (E HOMO), percent buried volume (V bur %), and distortion energy of the catalyst (ΔE dist), to describe the electronic, steric, and flexibility effects on reactivity, respectively.

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Section: Ligand Electronic Effect-threementioning

confidence: 99%

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

et al. 2019

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“…In fact, the entire story above can be generalized from sl 2 to sl n using other representations of Khovanov-Lauda-Rouquier's categorified quantum groups. The details of this generalization, including a definition of annular sl n homology and an explicit description of the action of sl n on the annular homology of any link, have been carried out in recent interesting work of Queffelec-Rose [30].…”

Section: Introductionmentioning

confidence: 99%

Annular Khovanov homology and knotted Schur–Weyl representations

Grigsby¹,

Licata²,

Wehrli³

2017

Compositio Math.

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Let L ⊂ A × I be a link in a thickened annulus. We show that its sutured annular Khovanov homology carries an action of sl 2 (∧), the exterior current algebra of sl 2 . When L is an m-framed n-cable of a knot K ⊂ S 3 , its sutured annular Khovanov homology carries a commuting action of the symmetric group S n . One therefore obtains a 'knotted' Schur-Weyl representation that agrees with classical sl 2 Schur-Weyl duality when K is the Seifert-framed unknot.

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“…Remark 3.10. Note that H. Queffelec and K. Seip studied in [17] the asymptotic behavior of the singular values of composition operators with symbol having one point as contact set.…”

Section: Note That If H Is An Admissible Function Andmentioning

confidence: 99%

“…In the last section, we study the size of contact set of ϕ, when C ϕ ∈ S p (D α ). For a treatment of some questions addressed in this paper see also [4,5,6,7,13,14,15,17].…”

Section: Introductionmentioning

confidence: 99%

Contact points and Schatten composition operators

et al. 2014

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We study composition operators on Hardy and Dirichlet spaces belonging to Schatten classes. We give some new examples and analyse the size of contact set of the symbol of such operators.The contact set of ϕ is E ϕ := E ϕ (1). Let H be a Hillbert space, a compact operator is said to belong in the Schatten class S p (H ) if its sequence of singular numbers is in the sequence space ℓ p .2000 Mathematics Subject Classification. 47B38, 30H05, 30C85, 47A15.

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Henri Queffélec et la musique

Cited by 3 publications

References 0 publications

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

Annular Khovanov homology and knotted Schur–Weyl representations

Contact points and Schatten composition operators

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