Unusual hydrogen bonding behavior in binary complexes of coinage metal anions with water

2005 ◽  
Vol 123 (8) ◽  
pp. 084307 ◽  
Author(s):  
Holger Schneider ◽  
A. Daniel Boese ◽  
J. Mathias Weber
Keyword(s):  
Hydrogen Bonding ◽  
Coinage Metal ◽  
Binary Complexes ◽  
Metal Anions

Do coinage metal anions interact with substituted benzene derivatives?

2013 ◽  
Vol 19 (11) ◽  
pp. 4763-4772 ◽  
Author(s):  
Zahra Aliakbar Tehrani ◽  
Zahra Jamshidi ◽  
Hossein Farhangian
Keyword(s):  
Benzene Derivatives ◽  
Coinage Metal ◽  
Metal Anions

Computational study of proper and improper hydrogen bonding in methanol complexes

2011 ◽  
Vol 89 (1) ◽  
pp. 34-46 ◽  
Author(s):  
C. Dale Keefe ◽  
Zuzana Istvankova
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Chemical Structure ◽  
Computational Study ◽  
Hydroxyl Group ◽  
Water Molecules ◽  
Binary Complexes ◽  
Non Covalent Interactions ◽  
The Stability ◽  
Covalent Interactions

The bulk properties of alcohols, like those of aqueous solutions, are governed mostly by hydrogen bonding; however, in contrast with water molecules, the chemical structure of a simple alcohol such as methanol offers an opportunity to explore the effects of both proper and improper hydrogen bonding on a single hydrogen donor. The presence of the hydroxyl group generally gives rise to a strong proper hydrogen bond, while the methyl group of methanol is likely involved in the weaker improper hydrogen bond, among other weak non-covalent interactions. The effects of the two types of hydrogen bonds on the stability, geometric parameters, and properties of electron density of methanol complexes are examined while considering different geometrical arrangements of the methanol dimer and the binary complexes of methanol with water, acetonitrile, and chloromethane. Subsequently, potential conclusions about the nature of improper hydrogen bonding and the origin of the C–H bond contraction that results upon complex formation are discussed. Quantum theory of atoms in molecules and natural bond orbital methods were used in the analysis; all calculations were performed at the MP2(full)/6-311++G(d,p) level of theory.

Hydrogen-bonded complexes of perfluoro-t-butanol with acetone and nitromethane in low temperature solutions and matrices

1991 ◽  
Vol 69 (10) ◽  
pp. 1520-1527 ◽  
Author(s):  
Louise Schriver ◽  
André Schriver ◽  
Stefan Peil ◽  
Otto Schrems
Keyword(s):  
Hydrogen Bonding ◽  
Low Temperature ◽  
Key Words ◽  
Infrared Spectra ◽  
Temperature Effects ◽  
Bonding Temperature ◽  
Proton Donor ◽  
Frequency Shifts ◽  
Binary Complexes ◽  
Solid Matrices

Infrared spectra are reported for binary complexes between perfluoro-tert-butanol as proton donor and nitromethane and acetone as bases. The complexes have been investigated in low temperature solutions and in cryogenic matrices. The spectra have been evaluated in terms of frequency shifts (ΔVOH), half widths (FWHH) and anharmonicities (κ) caused by the hydrogen bonding of these complexes. The influence of the environment (solvents and solid matrices) as well as temperature on the spectra of the complexes has also been studied and is discussed in detail. Key words: hydrogen bonding, temperature effects, solutions, matrix.

Hydrogen bonding in liquid methanol at ambient conditions and at high pressure

2000 ◽  
Vol 98 (3) ◽  
pp. 125-134 ◽  
Author(s):  
T. Weitkamp, J. Neuefeind, H. E. Fisch
Keyword(s):  
High Pressure ◽  
Hydrogen Bonding ◽  
Ambient Conditions
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