Alloying Effects on the Optical Properties of Ag–Au Nanoclusters from TDDFT Calculations

2011 ◽  
Vol 115 (49) ◽  
pp. 24085-24091 ◽  
Author(s):  
Giovanni Barcaro ◽  
Michel Broyer ◽  
Nicola Durante ◽  
Alessandro Fortunelli ◽  
Mauro Stener
Keyword(s):  
Optical Properties ◽  
Au Nanoclusters ◽  
Tddft Calculations ◽  
Alloying Effects

scholarly journals Synthesis and optical properties of new 5'-aryl-substituted 2,5-bis(3-decyl-2,2'-bithiophen-5-yl)-1,3,4-oxadiazoles

2017 ◽  
Vol 13 ◽  
pp. 313-322 ◽  
Author(s):  
Anastasia Sergeevna Kostyuchenko ◽  
Tatyana Yu Zheleznova ◽  
Anton Jaroslavovich Stasyuk ◽  
Aleksandra Kurowska ◽  
Wojciech Domagala ◽  
...  
Keyword(s):  
Optical Properties ◽  
Quantum Chemical ◽  
Emission Spectra ◽  
Aryl Halides ◽  
Aryl Substituent ◽  
Tddft Calculations ◽  
Terminal Substituent ◽  
Bluish Green ◽  
Palladium Catalyzed ◽  
Donor Acceptor

New photoluminescent donor–acceptor–donor (DAD) molecules, namely 5'-aryl-substituted 2,5-bis(3-decyl-2,2'-bithiophen-5-yl)-1,3,4-oxadiazoles were prepared by palladium-catalyzed coupling from readily available compounds such as ethyl 3-decyl-2,2'-bithiophene-5-carboxylate and aryl halides. The obtained compounds feature increasing bathochromic shifts in their emission spectra with increasing aryl-substituent size yielding blue to bluish-green emissions. At the same time, their absorption spectra are almost independent from the identity of the terminal substituent with λmax values ranging from 395 to 405 nm. The observed trends are perfectly predicted by quantum chemical DFT/TDDFT calculations carried out for these new molecules.

The role of the [CpM(CO)2]− chromophore in the optical properties of the [Cp2ThMCp(CO)2]+ complexes, where M = Fe, Ru and Os. A theoretical view

2015 ◽  
Vol 44 (46) ◽  
pp. 20004-20010 ◽  
Author(s):  
Plinio Cantero-López ◽  
Laura Le Bras ◽  
Dayán Páez-Hernández ◽  
Ramiro Arratia-Pérez
Keyword(s):  
Optical Properties ◽  
Transition Metals ◽  
Tddft Calculations ◽  
Theoretical View

SO-TDDFT calculations shows that transition metals sensitize the emission of Th ion in the present unsupported complexes.

Optical Properties of Pt and Ag–Pt Nanoclusters from TDDFT Calculations: Plasmon Suppression by Pt Poisoning

2014 ◽  
Vol 118 (48) ◽  
pp. 28101-28108 ◽  
Author(s):  
Giovanni Barcaro ◽  
Luca Sementa ◽  
Alessandro Fortunelli ◽  
Mauro Stener
Keyword(s):  
Optical Properties ◽  
Pt Nanoclusters ◽  
Tddft Calculations

scholarly journals Tuning the Optical Properties of Au Nanoclusters by Designed Proteins

2021 ◽  
pp. 2101332
Author(s):  
Elena Lopez‐Martinez ◽  
Diego Gianolio ◽  
Saül Garcia‐Orrit ◽  
Victor Vega‐Mayoral ◽  
Juan Cabanillas‐Gonzalez ◽  
...  
Keyword(s):  
Optical Properties ◽  
Au Nanoclusters ◽  
Designed Proteins

Protein stabilized Au nanoclusters: spectral properties and photostability

2016 ◽  
Vol 56 (1) ◽  
Author(s):  
Vilius Poderys ◽  
Marija Matulionytė-Safinė ◽  
Dainius Rupšys ◽  
Ričardas Rotomskis
Keyword(s):  
Optical Properties ◽  
Spectral Properties ◽  
Colloidal Stability ◽  
Coating Layer ◽  
Gold Nanoclusters ◽  
Therapeutic Agents ◽  
Hypsochromic Shift ◽  
Au Nanoclusters ◽  
Nanoparticle Coating ◽  
Delivered Dose

Bovine serum albumin stabilized gold nanoclusters (BSA-Au nanoclusters) have been widely studied due to their possible applications in biomedicine as sensors, fluorescent or multi-modality markers, and therapeutic agents. Synthesis and optical properties of these nanoclusters have been extensively investigated; however, there is still very little data on photostability of BSA-Au nanoclusters. Photostability of BSA-Au nanoclusters is of major importance for a variety of applications, such as material sensing and fluorescence imaging. Herein we demonstrate that after synthesis the BSA-Au solution has two photoluminescence (PL) bands peaking at 468 and 660 nm. Nevertheless, a different behaviour of the PL bands at 468 and 660 nm upon irradiation indicates that only band at 660 nm is related to PL of Au nanoclusters. BSA-Au nanoclusters exhibit great colloidal stability and do not undergo irreversible changes when heated up to 65 °C. However, irradiation of BSA-Au nanoclusters causes a wavelength dependent decrease of intensity and a hypsochromic shift of the PL band at 660 nm which is proportional to the delivered dose. The shift of the PL band at 660 nm could occur due to loss of several gold atoms in Au nanoclusters and/or due to deterioration of a nanoparticle coating layer. We have also demonstrated that the photostability of BSA-Au nanoclusters increases in the cell growth medium.

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