Dominance of unique P⋯ π phosphorus bonding with π donors: Evidence using matrix isolation infrared spectroscopy and computational methodology

S Chandra, B Suryaprasad, N Ramanathan… - Physical Chemistry …, 2020 - pubs.rsc.org
Albeit the first account of hypervalent⋯ π interactions has been reported with halogen⋯ π
interactions, the feasibility of their extension to other hypervalent atoms as possible Lewis …

Conformational properties of trimethyl phosphate monomer

I Reva, A Simao, R Fausto - Chemical physics letters, 2005 - Elsevier
Conformational isomerism of trimethylphosphate (TMP) has been studied de novo. TMP
monomers were isolated in low temperature xenon matrices at different substrate …

H⋯ π complexes of acetylene–benzene: a matrix isolation and computational study

K Sundararajan, KS Viswanathan, AD Kulkarni… - Journal of molecular …, 2002 - Elsevier
Hydrogen bonded H⋯ π complexes of C2H2 and C6H6 were studied both computationally
and experimentally. Computationally, C2H2–C6H6 complexes of 1: 1 and 2: 1 …

Structure and Spectroscopy of Furan:H2O Complexes

SP Lockwood, TG Fuller, JJ Newby - The Journal of Physical …, 2018 - ACS Publications
An analysis of the 1: 1 complex of furan and water is presented. In this study, computation
and matrix isolation FTIR were used to determine stable complexes of furan: water. Density …

Experimental and Theoretical Characterization of a Lone Pair− π Complex: Water–Hexafluorobenzene

JC Amicangelo, DG Irwin, CJ Lee… - The Journal of …, 2013 - ACS Publications
The lone pair− π interaction between H2O and C6F6 was studied using matrix isolation
infrared spectroscopy and quantum chemical calculations. Co-deposition of H2O with C6F6 …

Matrix Isolation Infrared and DFT Study of the Trimethyl Phosphite–Hydrogen Chloride Interaction: Hydrogen Bonding versus Nucleophilic Substitution

N Ramanathan, BP Kar, K Sundararajan… - The Journal of …, 2012 - ACS Publications
Trimethyl phosphite (TMPhite) and hydrogen chloride (HCl), when separately codeposited in
a N2 matrix, yielded a hydrogen bonded adduct, which was evidenced by shifts in the …

Trimethyl phosphate–acetylene interaction: a matrix-isolation infrared and ab initio study

K Sundararajan, V Vidya, K Sankaran… - … Acta Part A: Molecular …, 2000 - Elsevier
Trimethyl phosphate (TMP) and acetylene were codeposited in nitrogen and argon matrices
and adducts of these species were identified using infrared spectroscopy. Formation of the …

Trimethyl phosphate–CCl4 interaction: experimental and computational evidence for Cl⋯ O interactions

K Sankaran, K Sundararajan… - Journal of molecular …, 2002 - Elsevier
The formation of a weak Cl⋯ O bond has been discerned both experimentally and
computationally in our studies on the trimethyl phosphate (TMP)–CCl4 system. TMP and …

The “Strange Case” of Phenylacetylene: Competition between H-π and n-σ* Contacts, Studied using Matrix Isolation Infrared Spectroscopy and Ab Initio Computations

G Karir - 2018 - 210.212.36.82
Hydrogen bonded interactions of phenylacetylene (PhAc) with a number of partner
molecules were studied using matrix isolation infrared spectroscopy and ab initio …

QUANTUM-CHEMICAL SIMULATION OF PYRIDINIUM PEROXODISULFATES (СPyr)SO COMPLEXES

AK Dovlatyan, HG Badalyan… - Proceedings of the …, 2022 - journals.ysu.am
The computer modeling of complexes of pyridinium peroxodisulfates (С n Pyr) 2 S 2 O 8,
where n= 8; 12; 15; 16; 18; 20, have been done. The structural and energetic parameters of …