Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mainak Karmakar ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Dft Calculations ◽  
Zinc Complexes ◽  
Infinite Chain ◽  
State Structure ◽  
Computational Tools ◽  
Solid State Structure ◽  
Reduced Schiff Base ◽  
Insight Into

The formation of an infinite 1D assembly is governed by the H-bonding interactions in the solid state structure of the two zinc complexes. It has been analyzed energetically using DFT calculations and several computational tools.

An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex

CrystEngComm ◽  
2020 ◽  
Vol 22 (2) ◽  
pp. 237-247 ◽  
Author(s):  
Saikat Mirdya ◽  
Snehasis Banerjee ◽  
Shouvik Chattopadhyay
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
State Structure ◽  
Solid State Structure ◽  
Insight Into

A hemi-directed copper(ii)/lead(ii) complex has been synthesized and characterized. The energy of chalcogen–chalcogen and tetrel bonding interactions in this complex was analyzed by DFT calculations.

A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors

CrystEngComm ◽  
2020 ◽  
Vol 22 (17) ◽  
pp. 3005-3019 ◽  
Author(s):  
Ipsita Mondal ◽  
Tanmoy Basak ◽  
Snehasis Banerjee ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Selective Detection ◽  
State Structure ◽  
Strong Fluorescence ◽  
Solid State Structure ◽  
Reduced Schiff Base ◽  
Theoretical Insight ◽  
Hydrogen Bonded

A reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(ii). Strong fluorescence behaviors of two zinc(ii) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.

Ruthenium(II) bipyridine complexes incorporating (NN′S) azoimine ancillary ligands. Synthesis, spectroscopy, solid state structure and DFT calculations

Polyhedron ◽  
2017 ◽  
Vol 123 ◽  
pp. 47-55 ◽  
Author(s):  
Mousa Al-Noaimi ◽  
Firas F. Awwadi ◽  
Bara Atallah ◽  
Deeb Taher ◽  
Ayman Hammoudeh ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
State Structure ◽  
Ancillary Ligands ◽  
Solid State Structure

Synthesis and characterization of a manganese(III) schiff base complex and exploration of Br···Br interaction in the solid state structure of the complex

2019 ◽  
Vol 72 (19-21) ◽  
pp. 3237-3247 ◽  
Author(s):  
Ipsita Mondal ◽  
Kousik Ghosh ◽  
Antonio Franconetti ◽  
Antonio Frontera ◽  
Sudipta Chatterjee ◽  
...  
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Schiff Base Complex ◽  
Synthesis And Characterization ◽  
State Structure ◽  
Base Complex ◽  
Solid State Structure

Solid State Structure Prediction Through DFT Calculations and 13C NMR Measurements: Case Study of Spiro-2,4-dithiohydantoins

2016 ◽  
Vol 230 (5-7) ◽  
Author(s):  
Vladislav Antonov ◽  
Miroslava Nedyalkova ◽  
Pavleta Tzvetkova ◽  
Anife Ahmedova
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
13C Nmr ◽  
Structure Prediction ◽  
State Structure ◽  
Solid State Structure ◽  
Precise Estimation

AbstractWe present a DFT approach for precise estimation of the intermolecular effects on the experimental and calculated

Bis(N,N′-substituted oxamate) Zincate(II) complexes: Synthesis, spectroscopy, solid state structure and DFT calculations

2019 ◽  
Vol 487 ◽  
pp. 409-418
Author(s):  
Deeb Taher ◽  
Firas F. Awwadi ◽  
Mousa Al-Noaimi ◽  
Lina K. Khader ◽  
Hassan K. Juwhari ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
State Structure ◽  
Solid State Structure
Sign in / Sign up

Export Citation Format

Share Document