Mushraf Hussain

2 Questions 11 Answers 0 Followers

Questions related from Mushraf Hussain

Why there is dual emission band upon excitation on CT abs band?

I'm working on a number of core substituted NDI based Donor-Accepter-Donor triads. Upon excitation at CT absorption band I get a dual emission band (a blue shifted band is weaker and is...

08 July 2018 1,219 3 View

Which basis set will be suitable for a triad's UV-Vis DFT computation?

I tried b3lyp/6-31g(d) which is approx. 100nm red shifted from experimental UV-vis absorption. cam-b3lyp/6-31g(d) is about 100nm blue shifted.wb97xd/6-31g(d) is further blue shifted to 150-200 nm....

03 May 2018 4,392 4 View