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Definition of the hydrogen bond (IUPAC Recommendations 2011)
A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on some…
Defining the hydrogen bond: An account (IUPAC Technical Report)
The term “hydrogen bond” has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material scientists, there has been…
Definition of the Hydrogen Bond
Department of Inorganic and Physical Chemistry, Indian Institute of 8 Science, Bangalore. 560012, India; Solid State and Structural 9 Chemistry Unit, Indian Institute of Science, Bangalore. 560012,…
Defining the hydrogen bond: an account
The term 'Hydrogen Bond' has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists and material scientists, there has been a…
The Rotational Spectrum, Structure and Dynamics of a Benzene Dimer.
The X-C···Y (X = O/F, Y = O/S/F/Cl/Br/N/P) 'carbon bond' and hydrophobic interactions.
Analysis of the wave functions of atoms in molecules shows the presence of an unusual C···Y interaction, which could be called 'carbon bonding', and high level quantum calculations show interactions between the positive face of methanol/methyl fluoride and electron rich centers of other molecules such as H2O.
Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding.
- A. Shahi, E. Arunan
- Chemistry, Materials SciencePhysical chemistry chemical physics : PCCP
- 9 October 2014
A detailed Atoms in Molecules (AIM) theoretical analysis confirms an important conclusion: there is a strong correlation between the electron density at the XA bond critical point (BCP) and the interaction energy for all these interactions.
Low-J rotational spectra, internal rotation, and structures of several benzene-water dimers
Low J (0–4) rotational transitions have been observed for the benzene–water dimer of which high J (≥4) transitions were reported recently by Blake [Science 257, 942 (1992)]. Our experiments used a…
The H2 S Dimer is Hydrogen-Bonded: Direct Confirmation from Microwave Spectroscopy.
- Arijit Das, P. Mandal, F. Lovas, C. Medcraft, N. Walker, E. Arunan
- PhysicsAngewandte Chemie
- 12 November 2018
Ice and solid H2 S look as different as pears and oranges, leading Pauling to conclude that H2 O has hydrogen bonds and H2 S has van der Waals interactions. Now it is shown that the H2 S dimer, like…