Fluorescence emission maxima?

11 November 2016 0 8K Report

How off should be the emission max calculated from gaussian be? I am getting an emission max of 368 nm while the experimental is 400 nm for a compound.

What can I do to improve my results? I am using b3lyp/ 6-311+G**?

How can I calculate a UV-Vis Spectrum using Gaussian 03? - ResearchGate. Available from: https://www.researchgate.net/post/How_can_I_calculate_a_UV-Vis_Spectrum_using_Gaussian_03#5817fdfd40485406b167a3d1 [accessed Oct 31, 2016].

Badges
Science topic

More John Mathaga's questions See All

Band gap and emission? Excited state 1: Singlet-A 3.1234 eV 396.95nm f=0.0349 <s**2>=0.000, what does the 3.1234 eV represent in this result?

I am getting the following result from gaussian calculation in the determination of emission spectrum of an organic compound. Excited state 1: Singlet-A 3.1234 eV 396.95nm f=0.0349...

10 November 2016 9,028 3 View

Experimental data was obtained from UV-vis and Fluorimetry techniques?

10 November 2016 7,694 2 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

Any research papers for extraction of nutrient deprivation on macroalgae? Analysed by HPLC-UV and GC/MS. Possibly from macroalgae genus Rhizoclonium?

I am doing my thesis on the nutrient deprivation on the macroalgae Rhizoclonium sp. I will be analysing the levels over a period of roughly 5 days by HPLC-UV and GC/MS. I will be using seawater as...

28 February 2021 6,477 1 View

Why does intensity drops as concentration increases?

Is there any reason for decrease in fluorescence emission intensity of HSA,BSA when increase the concentration ?

28 February 2021 3,653 4 View

Why initial concentration of Pb not the same as calculated one when testing using AAS?

I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...

26 February 2021 9,580 4 View

Is this the write procedure for acid digestion of soil for heavy metal analysis using AAS?

How to do acid digestion of soil sample with 3:1 aquaregia in an open vessel?

23 February 2021 3,053 7 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

How can I simulate the optical absorption spectrum of a biomaterial (like DNA or protein) in COMSOL?

I need to simulate the optical properties of a biomaterial, namely DNA, in COMSOL. Basically I need to simulate the IR absorption spectrum of a cylinder filled with a 'concentration' of DNA. I am...

21 February 2021 3,043 3 View

Interpretation of a fluorescence Emission spectrum ?

Hello, i work with a spectrometer which only render the fluorescence emission spectrum. Until now i just found how to interpret an exitation- and emission spectrum together to generate deeper...

20 February 2021 1,291 3 View

In methylene blue test Why is UV absorbance reading very low as soon adsorbent is added and then increasing before reaching equilibrium?

Hello, I'm working on removal of methylene blue. 01. in the dark test very first reading is taken 15 minutes after adding adsorbent to the dye solution and that UV absorbance reading is very...

19 February 2021 472 5 View

How to calculate the Atomic Polar Tensor using DFT ?

Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...

17 February 2021 9,082 3 View