Gold(III) dithiocarbamate derivatives of N-methylglycine: An experimental and theoretical investigation

Polyhedron ◽  
2005 ◽  
Vol 24 (4) ◽  
pp. 521-531 ◽  
Author(s):  
Luca Ronconi ◽  
Chiara Maccato ◽  
Davide Barreca ◽  
Roberta Saini ◽  
Mirella Zancato ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Derivatives Of ◽  
Dithiocarbamate Derivatives

Diyne Cyclization in Camphor Derivatives - Experimental and Theoretical Investigation

1996 ◽  
Vol 51 (11) ◽  
pp. 1655-1662 ◽  
Author(s):  
Gabriele Wagner ◽  
Christian Heiß ◽  
Uwe Verfiirth ◽  
Rudolf Herrmann
Keyword(s):  
Oxygen Atom ◽  
Theoretical Investigation ◽  
Positive Charge ◽  
Membered Ring ◽  
Titanium Chloride ◽  
Nmr Studies ◽  
Methylene Carbon ◽  
Camphor Derivatives ◽  
Exocyclic Methylene ◽  
Derivatives Of

Derivatives of 3-oxo-camphorsulfonimide (1) with two phenylethynyl groups in the endo positions at the carbons C-2 and C-3 were prepared, and their reactivity towards halogenes and titanium chloride was studied. In every case, the two ethynyl groups led to the annulation of a five-membered ring to the bicyclo[2 .2 .1] system in an orientation which depends on the bulkiness of the additional substituent in position 3. NMR studies show that cationic species like 6 and 8 are the first detectable intermediates. They not only contain the fused five-membered ring but also a bond between its exocyclic methylene carbon and an oxygen atom of the sulfonyl group, thus transferring the positive charge mainly to sulfur. Semiempirical calculations (PM3) suggest two intermediates in the formation of such cations.

scholarly journals Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies

CrystEngComm ◽  
2021 ◽  
Author(s):  
Muhammad Naeem Ahmed ◽  
Muneeba Arif ◽  
Hina Andleeb ◽  
Syed Wadood Ali Shah ◽  
Ifzan Arshad ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Surface Analysis ◽  
Schiff Bases ◽  
Theoretical Investigation ◽  
Noncovalent Interactions ◽  
Hirshfeld Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lipoxygenase Inhibition ◽  
Derivatives Of

Three hydrazide-based Schiff bases have been synthesized and characterized by IR, UV-vis and X-ray diffraction methods. A detail analysis of intermolecular interactions has been performed by Hirshfeld surface analysis and DFT calculations.

2. Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus

2018 ◽  
pp. 19-32
Author(s):  
Lydia Rhyman ◽  
Mahir Tursun ◽  
Hassan H. Abdallah ◽  
Yee Siew Choong ◽  
Cemal Parlak ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Ebola Virus ◽  
Derivatives Of

Synthesis and investigation of antioxidant activity of the dithiocarbamate derivatives of 9,10-anthracenedione

2016 ◽  
Vol 147 (12) ◽  
pp. 2093-2101 ◽  
Author(s):  
Viktor Zvarych ◽  
Maryna Stasevych ◽  
Volodymyr Lunin ◽  
Nahide Gulsah Deniz ◽  
Cigdem Sayil ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Derivatives Of ◽  
Dithiocarbamate Derivatives

Hydrogen-mediated affinity of ions found in compressed potassium amidoborane, K[NH2BH3]

CrystEngComm ◽  
2014 ◽  
Vol 16 (45) ◽  
pp. 10367-10370 ◽  
Author(s):  
Ewelina Magos-Palasyuk ◽  
Taras Palasyuk ◽  
Patryk Zaleski-Ejgierd ◽  
Karol Fijalkowski
Keyword(s):  
Hydrogen Storage ◽  
Theoretical Investigation ◽  
Ammonia Borane ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Bonding Properties ◽  
Derivatives Of

The paper reports on the experimental and theoretical investigation of bonding properties of potassium amidoborane, (K[NH2BH3]), which is one of the most promising compounds for hydrogen storage material among metallated derivatives of ammonia borane (NH3BH3).

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