The effect of ring size on vibrational spectroscopic, geometry optimization and thermo chemistry parameters of cycloketones complexes with HF and HCl

Hooshyar, H. and Rahemi, R and Modirshahla, N (2008) The effect of ring size on vibrational spectroscopic, geometry optimization and thermo chemistry parameters of cycloketones complexes with HF and HCl. In: 11th Iranian Physical Chemistry Seminar-July 2008.

[img] Text
1 (7).pdf

Download (508kB)
Official URL: http://uma.ac.ir/

Abstract

The structural parameters, vibrational frequencies and interaction energies were parameterized in the same manner as for the cyclic ketones discussed in previous article [1]. In this work we discuss about the effect of ring size on Hydrogen bonding of a number of cycloketones–HX [X = F, Cl, n (number of carbon) =3-6] complexes and comparison properties with cycloketones monomer. Hydrogen bonds play an important role in reactivity, salvation and chemical properties. In aqueous solutions, hydrogen bonds are the major effects for large shifts in spectroscopic quantities.

Item Type: Conference or Workshop Item (Poster)
Persian Title: The effect of ring size on vibrational spectroscopic, geometry optimization and thermo chemistry parameters of cycloketones complexes with HF and HCl
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 15 Jun 2019 07:43
Last Modified: 15 Jun 2019 07:43
URI: http://repository.uma.ac.ir/id/eprint/6711

Actions (login required)

View Item View Item