TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW

The geometrical foundation of the Hückel-Möbius concept is revisited and used to represent approximate torsional wavefunctions of the hindered internal rotation of a coaxial (XYn)2 type molecule, constructing linear combinations of vibrational wavefunctions (LCVW) centered at the periodic potential...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Letelier D,Jorge Ricardo, Toro-Labbé,Alejandro, Chiu,Ying-Nan
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2002
Materias:	Torsional Vibration Hindered rotation eigenvalues
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442002000400003
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:scielo:S0366-16442002000400003
record_format	dspace
spelling	oai:scielo:S0366-164420020004000032009-12-18TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVWLetelier D,Jorge RicardoToro-Labbé,AlejandroChiu,Ying-Nan Torsional Vibration Hindered rotation eigenvalues The geometrical foundation of the Hückel-Möbius concept is revisited and used to represent approximate torsional wavefunctions of the hindered internal rotation of a coaxial (XYn)2 type molecule, constructing linear combinations of vibrational wavefunctions (LCVW) centered at the periodic potential minima. Making use of the sign variation of the "resonance" interaction integral with different vibrational levels, we construct energy levels that form the cluster of properly alternating non-degenerate and degenerate levels for the high-barrier case.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaBoletín de la Sociedad Chilena de Química v.47 n.4 20022002-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442002000400003en10.4067/S0366-16442002000400003
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Torsional Vibration Hindered rotation eigenvalues
spellingShingle	Torsional Vibration Hindered rotation eigenvalues Letelier D,Jorge Ricardo Toro-Labbé,Alejandro Chiu,Ying-Nan TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
description	The geometrical foundation of the Hückel-Möbius concept is revisited and used to represent approximate torsional wavefunctions of the hindered internal rotation of a coaxial (XYn)2 type molecule, constructing linear combinations of vibrational wavefunctions (LCVW) centered at the periodic potential minima. Making use of the sign variation of the "resonance" interaction integral with different vibrational levels, we construct energy levels that form the cluster of properly alternating non-degenerate and degenerate levels for the high-barrier case.
author	Letelier D,Jorge Ricardo Toro-Labbé,Alejandro Chiu,Ying-Nan
author_facet	Letelier D,Jorge Ricardo Toro-Labbé,Alejandro Chiu,Ying-Nan
author_sort	Letelier D,Jorge Ricardo
title	TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
title_short	TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
title_full	TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
title_fullStr	TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
title_full_unstemmed	TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW
title_sort	torsional vibration and internal rotation in (x-yn)2 molecules: the hückel - möbius lcvw
publisher	Sociedad Chilena de Química
publishDate	2002
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442002000400003
work_keys_str_mv	AT letelierdjorgericardo torsionalvibrationandinternalrotationinxyn2moleculesthehuckelmobiuslcvw AT torolabbealejandro torsionalvibrationandinternalrotationinxyn2moleculesthehuckelmobiuslcvw AT chiuyingnan torsionalvibrationandinternalrotationinxyn2moleculesthehuckelmobiuslcvw
_version_	1718438149856690176

TORSIONAL VIBRATION AND INTERNAL ROTATION IN (X-Yn)2 MOLECULES: THE HÜCKEL - MÖBIUS LCVW

Ejemplares similares