Bonding in the P(PH3)2 and N(PH3)2 Cations. An ab initio Study

Ab initio study of FH–PH3 and ClH–PH3 including the effects of electron correlation

Proton transfer or hemibonding? The structure and stability of radical cation clusters.

The basin hopping search algorithm in conjunction with second-order Møller-Plesset perturbation theory is used to determine the lowest energy structures of the radical cation clusters (NH3)n˙(+), (H2O)n˙(+), (HF)n˙(+), (PH3)n˙(+), (H2S)n˙(+) and (HCl)n˙(+), where n = 2-4. The energies of the most stable structures are subsequently evaluated using coupled cluster theory in conjunction with the a...

NMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound

Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...

NMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound

Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...

Reasoning Questions in P Block Elements

1. Though nitrogen exhibits +5 oxidation state, it does not form pentahalide. Give reason. Ans: Nitrogen valence electronic configuration nsnp due to absence empty dorbitals, it can not extend its valence to 5 2. PH3 has lower boiling point than NH3. Why? Ans: Unlike NH3, PH3 molecules are not associated through hydrogen bonding in liquid state. That is why the boiling point of PH3 is lower tha...