このエントリーをはてなブックマークに追加
ID 37984
file
title alternative
Laser Spectroscopic Study of Encapsulation Complexes in the Gas Phase : Molecular Level Understanding of the Encapsulation Mechanism of Host-Guest Complexes
creator
subject
functional molecules
host-guest complex
supersonic jet
electrospray ion trap
laser spectroscopy
crown ether
calixarene
quantum chemical calculation
NDC
Chemistry
abstract
Laser spectroscopic study has been carried out for host-guest encapsulation complexes formed in supersonic jets and electrospray ionization cold 22 ion trap. The examined hosts include benzene-substituted 18-crown-6-ethers and calix[4]arene, and for the guest species rare gas atoms, neutral molecules and alkali metal cations have been chosen. Various laser spectroscopic methods are applied: for the neutral complexes the electronic spectra are observed by laserinduced fluorescence (LIF), mass-selected resonance enhanced multiphoton ionization (REMPI) and ultravioletultraviolet hole-burning (UV-UV HB) spectroscopy. The vibrational spectra are observed by infrared-ultraviolet double resonance (IR-UV DR) and fragment detected infrared photodissociation (IRPD) spectroscopy. For the ionic complexes, ultraviolet photodissociation (UVPD) and IR-UV DR spectroscopy has been applied. The obtained results are analyzed by density functional theory and first principles electronic structure calculations. We discuss how the host molecule changes its conformation or which conformer is preferred for forming stable encapsulation complex as well as the key interactions, leading to the molecular recognition.
journal title
Molecular Science
volume
Volume 6
issue
Issue 1
start page
A0051
date of issued
2012-06-21
publisher
分子科学会
issn
1881-8404
publisher doi
language
jpn
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) 2012 分子科学会
relation url
department
Graduate School of Science



Last 12 months's access : ? times
Last 12 months's DL: ? times


This month's access: ? times
This month's DL: ? times