Attention:The NSF Public Access Repository (PAR) system and access will be unavailable from 11:00 PM ET on Thursday, August 13 until 12:00 AM ET on Friday, August 14 due to maintenance. We apologize for the inconvenience.


Title: Near-infrared emission, energy transfer, and mechanisms of Mn 2+ and Cr 3+ Co-doped lead-free Cs 2 AgInCl 6 double perovskites
Mn2+/Cr3+codoped Cs2AgInCl6double perovskite were synthesizedviaa facile hydrothermal method, which exhibits two photoluminescence bands with a wide emission switch ranging from orange to NIR and the photoluminescence quantum yield of 49.3%.  more » « less
Award ID(s):
2203633
PAR ID:
10537514
Author(s) / Creator(s):
; ; ; ; ; ; ;
Publisher / Repository:
Royal Society of Chemistry
Date Published:
Journal Name:
Journal of Materials Chemistry C
Volume:
11
Issue:
37
ISSN:
2050-7526
Page Range / eLocation ID:
12649 to 12657
Subject(s) / Keyword(s):
NIR emission codoping double perovskite
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Joint photoelectron spectroscopy and first-principles theory investigations indicate that the Pb-doped PbB2(BO)nclusters (n= 0−2) undergo a transformation from σ + π doubly aromatic triangle PbB2to PbB4(BO)2−/0complexes with a B≡B triple bond. 
    more » « less
  2. Abstract Coordination complexes of general formulatrans‐[MX2(R2ECH2CH2ER2)2] (MII=Ti, V, Cr, Mn; E=N or P; R=alkyl or aryl) are a cornerstone of coordination and organometallic chemistry. We investigate the electronic properties of two such complexes,trans‐[VCl2(tmeda)2] andtrans‐[VCl2(dmpe)2], which thus representtrans‐[MX2(R2ECH2CH2ER2)2] where M=V, X=Cl, R=Me and E=N (tmeda) and P (dmpe). These VIIcomplexes haveS=3/2 ground states, as expected for octahedral d3. Their tetragonal distortion leads to zero‐field splitting (zfs) that is modest in magnitude (D≈0.3 cm−1) relative to analogousS=1 TiIIand CrIIcomplexes. This parameter was determined from conventional EPR spectroscopy, but more effectively from high‐frequency and ‐field EPR (HFEPR) that determined the sign ofDas negative for the diamine complex, but positive for the diphosphine, which information had not been known for anytrans‐[VX2(R2ECH2CH2ER2)2] systems. The ligand‐field parameters oftrans‐[VCl2(tmeda)2] andtrans‐[VCl2(dmpe)2] are obtained using both classical theory andab initioquantum chemical theory. The results shed light not only on the electronic structure of VIIin this environment, but also on differences between N and P donor ligands, a key comparison in coordination chemistry. 
    more » « less
  3. Abstract Organofunctionalized tetranuclear clusters [(MIICl)2(VIVO)2{((HOCH2CH2)(H)N(CH2CH2O))(HN(CH2CH2O)2)}2] (1, M=Co,2: M=Zn) containing an unprecedented oxometallacyclic {M2V2Cl2N4O8} (M=Co, Zn) framework have been prepared by solvothermal reactions. The new oxo‐alkoxide compounds were fully characterized by spectroscopic methods, magnetic susceptibility measurement, DFT and ab initio computational methods, and complete single‐crystal X‐ray diffraction structure analysis. The isostructural clusters are formed of edge‐sharing octahedral {VO5N} and trigonal bipyramidal {MO3NCl} units. Diethanolamine ligates the bimetallic lacunary double cubane core of1and2in an unusual two‐mode fashion, unobserved previously. In the crystalline state, the clusters of1and2are joined by hydrogen bonds to form a three‐dimensional network structure. Magnetic susceptibility data indicate weakly antiferromagnetic interactions between the vanadium centers [Jiso(VIV−VIV)=−5.4(1); −3.9(2) cm−1], and inequivalent antiferromagnetic interactions between the cobalt and vanadium centers [Jiso(VIV−CoII)=−12.6 and −7.5 cm−1] contained in1. 
    more » « less
  4. Attractive London dispersion effects were found to be responsible forca.half of the dissociation energy of the thiolate ligands in the first examples of M(EAriPr6)3complexes of any metal with any donor [AriPr6= C6H3-2,6-(C6H2-2,4,6-iPr3)2]. 
    more » « less
  5. Abstract Careful analysis of the crystals formed in the reduction of AriPr8AlI2(AriPr8=C6H‐2,6‐(C6H2‐2,4,6‐iPr3)2‐3,5‐iPr2) with sodium on sodium chloride showed them to contain the long sought‐after dialuminene AriPr8AlAlAriPr8(1) that forms alongside the previously characterized alanediyl :AlAriPr8. The single crystal X‐ray structure of1revealed a nearly planar,trans‐bent C(ipso)AlAlC(ipso) core with an Al−Al distance of 2.648(2) Å. The molecular and electronic structure of1are consistent with an Al−Al double dative interaction augmented with diradical character and stabilized by dispersion interactions. Density functional theory calculations showed that the reactivity of :AlAriPr8with dihydrogen involves1, not :AlAriPr8, as the reactive species. In contrast, the reaction of :AlAriPr8with ethylene gave two products, the 1,4‐dialuminacyclohexane AriPr8Al(C2H4)2AlAriPr8(2) and the aluminacyclopentane AriPr8Al(C4H8) (3), that can both form from the aluminacyclopropane intermediate AriPr8Al(C2H4). Although the [2+2+2] cycloaddition of1with two equivalents of ethylene was also calculated to be exergonic, it is likely to be kinetically blocked by the numerous isopropyl substituents surrounding the Al−Al bond. Attempts to fine‐tune the steric bulk of the terphenyl ligand to allow stronger Al−Al bonding were unsuccessful, leading to the isolation of the sodium salt of a cyclotrialuminene, Na2[AlAriPr6]3(4), instead of AriPr6AlAlAriPr6
    more » « less