Stereoselective photoinduced electrocyclic ring closure of aromatic enehydrazides. Asymmetric synthesis of 3-aryl dihydroisoquinolones and tetrahydroisoquinolines

A flexible route for the stereoselective synthesis of a variety of 3-aryl dihydroisoquinolones and tetrahydroisoquinolines has been developed. The key step is a diastereoselective photoinduced 6π-electrocyclic ring closure of enantiopure aromatic enehydrazides via a 1,4-remote asymmetric induction. N–N bond cleavage to release the chiral appendage from the preliminary annulated compounds and/or concomitant reduction of the lactam carbonyl group completed the synthesis of the title compounds.     

Temperature Dependence of 1H Paramagnetic Chemical Shifts in Actinide Complexes,Beyond Bleaney's Theory: The AnVIO22+–Dipicolinic Acid Complexes (An=Np,Pu) as an Example

Actinide +VI complexes ( = , and ) with dipicolinic acid derivatives were synthesized and characterized by powder XRD, SQUID magnetometry and NMR spectroscopy. In addition, and complexes were described by first principles CAS based and two-component spin-restricted DFT methods. The analysis of the ¹H paramagnetic NMR chemical shifts for all protons of the ligands according to the X-rays structures shows that the Fermi contact contribution is negligible in agreement with spin density determined by unrestricted DFT. The magnetic susceptibility tensor is determined by combining SQUID, pNMR shifts and Evans’ method. The SO-RASPT2 results fit well the experimental magnetic susceptibility and pNMR chemical shifts. The role of the counterions in the solid phase is pointed out; their presence impacts the magnetic properties of the complex. The temperature dependence of the pNMR chemical shifts has a strong contribution, contrarily to Bleaney's theory for lanthanide complexes. The fitting of the temperature dependence of the pNMR chemical shifts and SQUID magnetic susceptibility by a two-Kramers-doublet model for the complex and a non-Kramers-doublet model for the complex allows for the experimental evaluation of energy gaps and magnetic moments of the paramagnetic center.     

Homomorphisms of matrix algebras and constructions of Butson–Hadamard matrices

An $n\times n$ matrix $H$ is Butson–Hadamard if its entries are $k$th roots of unity and it satisfies $H{H}^1=n{I}_n$. Write $\mathrm{BH}(n,k)$ for the set of such matrices.Suppose that $k=p^{\alpha }{q}^{\beta }$ where $p$ and $q$ are primes and $\alpha \ge 1$. A recent result of Östergård and Paavola uses a matrix $H\in \mathrm{BH}(n,pk)$ to construct $H^{\prime }\in \mathrm{BH}(pn,k)$. We simplify the proof of this result and remove the restriction on the number of prime divisors of $k$. More precisely, we prove that if $k=mt$, and each prime divisor of $k$ divides $t$, then we can construct a matrix $H^{\prime }\in \mathrm{BH}(mn,t)$ from any $H\in \mathrm{BH}(n,k)$.     

Saturation of Berge hypergraphs

Given a graph $F$, a hypergraph is a Berge- $F$ if it can be obtained by expanding each edge in $F$ to a hyperedge containing it. A hypergraph $H$ is Berge-$F$-saturated if $H$ does not contain a subhypergraph that is a Berge-$F$, but for any edge $e\in E\left(\overline{H}\right)$, $H+e$ does. The $k$-uniform saturation number of Berge-$F$ is the minimum number of edges in a $k$-uniform Berge-$F$-saturated hypergraph on $n$ vertices. For $k=2$ this definition coincides with the classical definition of saturation for graphs. In this paper we study the saturation numbers for Berge triangles, paths, cycles, stars and matchings in $k$-uniform hypergraphs.     

On Classification of Modular Tensor Categories

We classify all unitary modular tensor categories (UMTCs) of rank ≤ 4. There are a total of 35 UMTCs of rank ≤ 4 up to ribbon tensor equivalence. Since the distinction between the modular S-matrix S and −S has both topological and physical significance, so in our convention there are a total of 70 UMTCs of rank ≤ 4. In particular, there are two trivial UMTCs with S = (±1). Each such UMTC can be obtained from 10 non-trivial prime UMTCs by direct product, and some symmetry operations. Explicit data of the 10 non-trivial prime UMTCs are given in Sect. 5. Relevance of UMTCs to topological quantum computation and various conjectures are given in Sect. 6.     

Non-quadratic defect energy: A comparison of gradient plasticity simulations to discrete dislocation dynamics results

A small-deformation strain gradient plasticity (GP) model for single-crystals has been proposed in [1], including a grain boundary (GB) yield condition without hardening. It has been extended by a hardening term for the GBs after a comparison to discrete dislocation dynamics (DDD) results in [2]. Differences between the strain gradients of the GP results and the DDD results motivate the consideration of a non-quadratic defect energy [3] in the GP model. It is shown that the gradients in the GP model can be improved using an exponent different from two. Remaining discrepancies in the strain profiles, compared to the DDD results, are attributed to the neglect of the individual gradients of plastic slip and due to the lack of a mechanism for the misorientation-dependent elastic interactions of dislocations across GBs [4] in the GP model. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)