scholarly journals Relating linear vibrational spectroscopy to condensed-phase hydrogen-bonded structures: Liquid-to-supercritical water

2008 ◽  
Vol 128 (24) ◽  
pp. 244510 ◽  
Author(s):  
Alexander Kandratsenka ◽  
Dirk Schwarzer ◽  
Peter Vöhringer
Keyword(s):  
Vibrational Spectroscopy ◽  
Supercritical Water ◽  
Condensed Phase ◽  
Hydrogen Bonded

Hydrogen Bonded Networks in Supercritical Water

2014 ◽  
Vol 118 (38) ◽  
pp. 11253-11258 ◽  
Author(s):  
Qiang Sun ◽  
Qianqian Wang ◽  
Dongye Ding
Keyword(s):  
Supercritical Water ◽  
Hydrogen Bonded

Precision in Condensed Phase Vibrational Spectroscopy

1982 ◽  
Vol 36 (3) ◽  
pp. 245-250 ◽  
Author(s):  
David G. Cameron ◽  
Jyrki K. Kauppinen ◽  
Douglas J. Moffatt ◽  
Henry H. Mantsch
Keyword(s):  
Least Squares ◽  
Vibrational Spectroscopy ◽  
Condensed Phase ◽  
Center Of Gravity ◽  
Wave Number ◽  
Sources Of Error

Algorithms for the computation of bandwidths, and center of gravity and least-squares frequencies are developed. The sources of error are discussed, and it is shown that the above parameters can be determined with maximum uncertainties of hundredths or thousandths of a wave number.

scholarly journals Hydrogen-Bonded Networks Based on Cobalt(II), Nickel(II), and Zinc(II) Complexes of N,N'-Diethylurea

2010 ◽  
Vol 2010 ◽  
pp. 1-12 ◽  
Author(s):  
Labrini Drakopoulou ◽  
Catherine P. Raptopoulou ◽  
Aris Terzis ◽  
Giannis S. Papaefstathiou
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Vibrational Spectroscopy ◽  
Supramolecular Structures ◽  
Counter Ion ◽  
Structure Determinations ◽  
Hydrogen Bonded

N,N'-diethylurea (DEU) was employed as a ligand to form the octahedral complexes[M(DEU)6]2+(M=Co, Ni and Zn). Compounds[Co(DEU)6](BF4)2(1),[Co(DEU)6](CIO4)2(2),[Ni(DEU)6](CIO4)2(3), and[Zn(DMU)6](CIO4)2(4) have been prepared from the reactions of DEU and the appropriate hydrated metal(II) salts in EtOH in the presence of 2,2-dimethoxypropane. Crystal structure determinations demonstrate the existence of[M(DEU)6]2+cations andCIO4-(in2–4) orBF4-(in1) counterions. The[M(DEU)6]2+cations in the solid state are stabilized by apseudochelateeffect due to the existence of six strong intracationicN-H⋯O(DEU)hydrogen bonds. The[M(DEU)6]2+cations and counterions self-assemble to form hydrogen-bonded 2D architectures in2–4that conform to thekgd(kagome dual) network, and a 3D hydrogen-bondedrtl(rutile) network in1. The nature of the resulting supramolecular structures is influenced by the nature of the counter-ion. The complexes were also characterized by vibrational spectroscopy (IR).

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