Matrix-Isolation FTIR Studies and Theoretical Calculations of Hydrogen-Bonded Complexes of Imidazole. A Comparison between Experimental Results and Different Calculation Methods

1997 ◽  
Vol 101 (13) ◽  
pp. 2397-2413 ◽  
Author(s):  
Marlies K. Van Bael ◽  
Johan Smets ◽  
Kristien Schoone ◽  
Linda Houben ◽  
William McCarthy ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Matrix Isolation ◽  
Experimental Results ◽  
Calculation Methods ◽  
Ftir Studies ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals Matrix isolation FTIR study of hydrogen-bonded complexes of methanol with heterocyclic organic compounds

RSC Advances ◽  
2017 ◽  
Vol 7 (5) ◽  
pp. 2503-2512 ◽  
Author(s):  
Xiaotong Jiang ◽  
Shijie Liu ◽  
Narcisse T. Tsona ◽  
Shanshan Tang ◽  
Lei Ding ◽  
...  
Keyword(s):  
Ftir Spectroscopy ◽  
Organic Compounds ◽  
Heterocyclic Compounds ◽  
Theoretical Calculations ◽  
Matrix Isolation ◽  
Ftir Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Hydrogen bonded complexes of heterocyclic compounds with methanol were studied using matrix isolation FTIR spectroscopy and theoretical calculations.

Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R=NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2

2009 ◽  
Vol 49 (2) ◽  
pp. 133-141 ◽  
Author(s):  
Tarsila G. Castro ◽  
Regiane C.M.U. Araújo ◽  
Claudia F. Braga ◽  
Liana S. Silva ◽  
Arquimedes M. Pereira ◽  
...  
Keyword(s):  
Substituent Effect ◽  
Theoretical Calculations ◽  
Molecular Properties ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Hydrogen bonded complexes of acetylene and boric acid: A matrix isolation infrared and ab initio study

2011 ◽  
Vol 991 (1-3) ◽  
pp. 35-41 ◽  
Author(s):  
K. Sundararajan ◽  
N. Ramanathan ◽  
Bishnu Prasad Kar ◽  
K.S. Viswanathan
Keyword(s):  
Boric Acid ◽  
Ab Initio ◽  
Matrix Isolation ◽  
Ab Initio Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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