TD–DFT investigation of the potential energy surface for Excited-State Intramolecular Proton Transfer (ESIPT) reaction of 10-hydroxybenzo[h]quinoline: Topological (AIM) and population (NBO) analysis of the intramolecular hydrogen bonding interaction

2011 ◽  
Vol 131 (9) ◽  
pp. 1918-1926 ◽  
Author(s):  
Bijan Kumar Paul ◽  
Nikhil Guchhait
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Energy Surface ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Proton Transfer ◽  
Nbo Analysis ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Td Dft ◽  
Intramolecular Hydrogen

Gold(I) 1,2,3-Triazolylidene Complex Featuring the Interaction Between Gold and Methine Hydrogen

2021 ◽  
Author(s):  
Adi Narayana Mannem ◽  
Moulali Vaddamanu ◽  
Arruri Sathyanarayana ◽  
Kumar Siddhant ◽  
Shohei Sugiyama ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Ft Ir ◽  
Intramolecular Hydrogen

Mesoionic N-heterocyclic carbene-gold(I) complex with a unique Au····H–C(methine) intramolecular hydrogen bonding interaction has been investigated in the solid-state. The structure of this new neutral gold(I)-carbene was characterized by FT-IR, NMR...

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