Solid state characterization of an antioxidant alkaloid boldine using vibrational spectroscopy and quantum chemical calculations

2011 ◽  
Vol 56 (1) ◽  
pp. 82-88 ◽  
Author(s):  
Anubha Srivastava ◽  
Poonam Tandon ◽  
A.P. Ayala ◽  
Sudha Jain
Keyword(s):  
Solid State ◽  
Quantum Chemical Calculations ◽  
Vibrational Spectroscopy ◽  
Quantum Chemical ◽  
Solid State Characterization

Solid state characterization of olanzapine polymorphs using vibrational spectroscopy

2006 ◽  
Vol 326 (1-2) ◽  
pp. 69-79 ◽  
Author(s):  
A.P. Ayala ◽  
H.W. Siesler ◽  
R. Boese ◽  
G.G. Hoffmann ◽  
G.I. Polla ◽  
...  
Keyword(s):  
Solid State ◽  
Vibrational Spectroscopy ◽  
Solid State Characterization

The Nature of Chemisorbed CO2 in Zeolite A

2019 ◽  
Author(s):  
Przemyslaw Rzepka ◽  
Zoltán Bacsik ◽  
Andrew J. Pell ◽  
Niklas Hedin ◽  
Aleksander Jaworski
Keyword(s):  
Solid State ◽  
Ir Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Surface Coverage ◽  
Gas Mixtures ◽  
Mas Nmr ◽  
Significant Fraction ◽  
Zeolite A

Formation of CO<sub>3</sub><sup>2-</sup> and HCO<sub>3</sub><sup>-</sup> species without participation of the framework oxygen atoms upon chemisorption of CO<sub>2</sub> in zeolite |Na<sub>12</sub>|-A is revealed. The transfer of O and H atoms is very likely to have proceeded via the involvement of residual H<sub>2</sub>O or acid groups. A combined study by solid-state <sup>13</sup>C MAS NMR, quantum chemical calculations, and <i>in situ</i> IR spectroscopy showed that the chemisorption mainly occurred by the formation of HCO<sub>3</sub><sup>-</sup>. However, at a low surface coverage of physisorbed and acidic CO<sub>2</sub>, a significant fraction of the HCO<sub>3</sub><sup>-</sup> was deprotonated and transformed into CO<sub>3</sub><sup>2-</sup>. We expect that similar chemisorption of CO<sub>2</sub> would occur for low-silica zeolites and other basic silicates of interest for the capture of CO<sub>2</sub> from gas mixtures.

Solid-State Characterization of Amorphous and Mesomorphous Calcium Ketoprofen

2010 ◽  
Vol 99 (9) ◽  
pp. 3684-3697 ◽  
Author(s):  
Faraj Atassi ◽  
Chen Mao ◽  
Ahmad S. Masadeh ◽  
Stephen R. Byrn
Keyword(s):  
Solid State ◽  
Solid State Characterization

Microwave assisted synthesis and solid-state characterization of lithocholyl amides of isomeric aminopyridines

Steroids ◽  
2011 ◽  
Vol 76 (3) ◽  
pp. 261-268 ◽  
Author(s):  
Kari V. Ahonen ◽  
Manu K. Lahtinen ◽  
Arto M. Valkonen ◽  
Martin Dračínský ◽  
Erkki T. Kolehmainen
Keyword(s):  
Solid State ◽  
Microwave Assisted Synthesis ◽  
Microwave Assisted ◽  
Solid State Characterization

The solid state structure and environmental polarization effect of a novel asymmetric azine

2017 ◽  
Vol 41 (19) ◽  
pp. 11361-11371 ◽  
Author(s):  
Clodoaldo Valverde ◽  
Wesley F. Vaz ◽  
Jean M. F. Custodio ◽  
Vitor S. Duarte ◽  
Paulo S. Carvalho-Jr ◽  
...  
Keyword(s):  
Solid State ◽  
Polarization Effect ◽  
State Structure ◽  
Solid State Structure ◽  
Solid State Characterization

Extensive solid state characterization of a novel asymmetric azine and its environmental polarization effect is reported.

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