A series of new homoleptic first-row transition metal and yttrium tris(alkynylamidinate) complexes have been synthesized fully characterized. The starting materials [c-C3H5−C≡C−C(NR)2]Li⋅THF (1: R=iPr, 2: R=Cy; Cy=Cyclohexyl) were obtained in high yields by employing a modified literature procedure. In the course this study, unprecedented tetrameric, unsolvated lithium amidinate [Li{c-C3H5−C≡C−...

Convolution as a Matrix/Vector multiplication Notice that (2) can be written as g = Y x where g is a column vector with elements gk = (x ∗ y)k, x is a column vector with elements xk, and Y is an NxN matrix. By examining (2), we can deduce that the elements of the first row of the matrix Y should be Y0,: = {y0, y−1, y−2, ..., y−(N−1)} Similarly, the second row should be Y1,: = {y1, y0, y−1, ...,...

The spin−orbit splittings of low-lying states in third-row transition elements were calculated using both an effective core potential (ECP) method within the one-electron (Zeff) approximation and all-electron (AE) methods using three different approaches. The wave functions were obtained using the multiconfiguration self consistent field (MCSCF) method followed by second-order configuration int...

Within the last decades the transition metal-catalyzed cross-coupling of non-activated alkyl halides has significantly progressed. Within the context of alkyl-alkyl cross-coupling first row transition metals spanning from iron, over cobalt, nickel, to copper have been successfully applied to catalyze this difficult reaction. The mechanistic understanding of these reactions is still in its infan...

H-rotor Vertical Axis Wind Turbine (VAWT) is one of the most efficient energy suppliers which have been investigated in many recent types of research. The aim of this work is to study the aerodynamic performance of a doubled-row H-Darrieus VAWT. First, an ordinary three-bladed VAWT with NACA4415 profile is simulated by means of 3D computational fluid dynamics (CFD) and results are compared to a...

Globally scalable sunlight-driven devices that convert solar energy into storable fuels will require efficient light absorbers that are made of non-precious elements. Suitable photoanode materials are yet to be discovered. Here we utilised the timesaving nature of pulsed-laser-in-liquids synthesis and prepared a series of neat and mixed-metal tungsten oxide photoanode materials to investigate t...

An augmented valence triple-zeta basis set, referred to as G3Large, is reported for the first-row transition metal elements Sc through Zn. The basis set is constructed in a manner similar to the G3Large basis set developed previously for other elements (H-Ar, K, Ca, Ga-Kr) and used as a key component in Gaussian-3 theory. It is based on a contraction of a set of 15s13p5d Gaussian primitives to ...

Compounds of the late transition metals with M=X multiple bonds (X=CR2, NR, O) represent a synthetic challenge, partly overcome by preparative chemists, but with noticeable gaps in the second- and third-row elements. For example, there are no isolated examples of terminal imido rhodium complexes known to date. Described herein is the isolation, characterization, and some preliminary reactivity ...

Within the last decades the transition metal-catalyzed cross-coupling of non-activated alkyl halides has significantly progressed. Within the context of alkyl-alkyl cross-coupling, first row transition metals spanning from iron, over cobalt, nickel, to copper have been successfully applied to catalyze this difficult reaction. The mechanistic understanding of these reactions is still in its infa...