WebAug 15, 2016 · The straightforward synthesis of a new Cu(i) metal-rich small metallacycle is presented. This compound is luminescent in the solid state with an emission quantum yield of 72% at room temperature and displays a pronounced reversible red-shift of its emission spectra upon cooling. Quantum chemical calculations WebCuprophilic interactions exist! That is the conclusion of detailed theoretical studies on a number of Cu I complexes of type (CH 3 CuX) 2.Elimination of large basis set superposition errors that plagued earlier calculations revealed cuprophilic attractions of up to 4 kcal mol −1.Such interactions are partially resonsible for the inward bending of the C-Cu-C …
Coprophilic - definition of coprophilic by The Free Dictionary
WebFinally, a density functional theory (DFT) study of the energetic features of several noncovalent interactions observed in the solid state has been analyzed and characterized using Bader’s theory of “atoms in molecules” and the cuprophilic interactions in complex 2 using natural bond orbital methodology. WebIts structural changes are directly related to the high Cu ( I )–I chain structural flexibility, which allows the shortening of the Cu⋯Cu distances via cuprophilic interactions. Moreover, the control of size, defects, and CuI content allows modifying its emission and electrical conductivity. birth55runy
Cuprophilic Interactions in and between Molecular Entities
WebCuprophilic Interactions in and between Molecular Entities Dr. N. V. Satyachand Harisomayajula, Dr. N. V. Satyachand Harisomayajula Department of Chemistry and Frontier Research Center, on Fundamental and Applied Sciences and Matters, National Tsing Hua University, 101, Sec.2, Guang-Fu Road, Hsinchu, 300 Taiwan WebThis work presents a unique nanoball Cu nanocluster with strong cuprophilic interaction and provides a novel method to expand the family of Cu nanoclusters as well. About. Cited by. Related. Buy this article … WebConsequently, NNU-33 (H) with enhanced cuprophilic interactions shows an outstanding product (CH 4) selectivity of 82% at −0.9 V (vs reversible … birth 5