the potential function of lippincott and schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. the parameters originally introduced to the potential function by lippincott and schroeder have been determined from the structural parameters such as 0.. .odistance 0-h bond distance, h.. .o distance and hoo angle. thevalidity of harmonic oscillator approxim...

A new method is presented for interpreting the Raman spectra of bismuth oxides. The method relies on empirical relations between bismuth-oxygen (Bi-0) bond lengths, bond strengths, and Raman stretching frequencies. A least-squares exponential fit of crystallographically determined Bi-0 bond lengths and Raman stretching frequencies is presented along with a relation between Bi-0 bond strengths, ...

The potential function of Lippincott and Schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. The parameters originally introduced to the potential function by Lippincott and Schroeder have been determined from the structural parameters such as 0.. .Odistance 0-H bond distance, H.. .O distance and HOO angle. Thevalidity of harmonic oscillator appr...

A correlation is developed for relating Rarnan stretching frequencies of molybdenum-oxygen ( M 4 ) bonds to their respective bond distances in molybdenum oxide compounds. M+O bond orders are also related to Stretching frequencies. The M 4 correlation is expected to offer invaluable insight into the structures of rnolybdate species in chemical systems which are not amenable to analysis by difkac...

The stability and breakdown mechanism of a single molecule covalently bound to two Au electrodes via Au-S bonds were studied at room temperature. The distance over which a molecular junction can be stretched before breakdown was measured using a scanning tunneling microscopy break junction approach as a function of stretching rate. At low stretching rates, the stretching distance is small and i...

We utilized molecular statics (MS) simulations to investigate the auxeticity of single layer black phosphorus (SLBP). Our simulation results show that the SLBP has a negative in-plane Poisson’s ratio in the zigzag direction when the applied strain along the armchair direction exceeds 0.018. We show that the interplay between bond stretching and bond rotating modes determines the in-plane Poisso...

An empirical correlation is established for relating Raman stretching frequencies of niobium-oxygen (Nb-O) bonds to their respective bond distances in niobium oxide compounds. The correlation is an exponential least-squares fit between measured Raman frequencies and reported crystallographic bond lengths. Niobium-oxygen bond strengths (in valence units) are also related to Raman stretching freq...

Saligenin (2-(hydroxymethyl)phenol) exhibits both strong and weak intramolecular electrostatic interactions. The bonds that result from these interactions compete with intermolecular hydrogen bonds once saligenin binds to one or more water molecules. Infrared (IR) ultraviolet (UV) ion-dip spectroscopy was used to study isolated saligenin-(H2O)n clusters (n = 1-3) in the far- and mid-IR regions ...

A formamide molecule is allowed to form a CH O H-bond with a glycine dipeptide in both its C5 and C7 internal conformations. As this intermolecular H-bond is elongated, the contraction of the CAH covalent bond is monitored, as is its vibrational stretching frequency and intensity, along with NMR chemical shifts of the atoms involved in the H-bond. The degree of shortening of the CAH bond become...