Exchange repulsion increases internal rotation floppiness

V. Pophristic; L. Goodman

doi:10.1063/1.1389843

Exchange repulsion increases internal rotation floppiness

V. Pophristic, L. Goodman

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

The influence of antisymmetrization on the shape of internal rotation potential surfaces was investigated using potential curves with or without antisymmetrization. It is found that, at room temperature the population of excited torsional levels increase due to the reduction in torsional energy level spacing. The results show that exchange interaction for ethane, disilane and methanol increases the torsional amplitude and level splittings.

Original language	English (US)
Pages (from-to)	5132-5136
Number of pages	5
Journal	Journal of Chemical Physics
Volume	115
Issue number	11
DOIs	https://doi.org/10.1063/1.1389843
State	Published - Sep 15 2001
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1389843

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title = "Exchange repulsion increases internal rotation floppiness",

abstract = "The influence of antisymmetrization on the shape of internal rotation potential surfaces was investigated using potential curves with or without antisymmetrization. It is found that, at room temperature the population of excited torsional levels increase due to the reduction in torsional energy level spacing. The results show that exchange interaction for ethane, disilane and methanol increases the torsional amplitude and level splittings.",

author = "V. Pophristic and L. Goodman",

year = "2001",

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doi = "10.1063/1.1389843",

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T1 - Exchange repulsion increases internal rotation floppiness

AU - Pophristic, V.

AU - Goodman, L.

PY - 2001/9/15

Y1 - 2001/9/15

N2 - The influence of antisymmetrization on the shape of internal rotation potential surfaces was investigated using potential curves with or without antisymmetrization. It is found that, at room temperature the population of excited torsional levels increase due to the reduction in torsional energy level spacing. The results show that exchange interaction for ethane, disilane and methanol increases the torsional amplitude and level splittings.

AB - The influence of antisymmetrization on the shape of internal rotation potential surfaces was investigated using potential curves with or without antisymmetrization. It is found that, at room temperature the population of excited torsional levels increase due to the reduction in torsional energy level spacing. The results show that exchange interaction for ethane, disilane and methanol increases the torsional amplitude and level splittings.

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DO - 10.1063/1.1389843

M3 - Article

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 11

ER -

Exchange repulsion increases internal rotation floppiness

Abstract

All Science Journal Classification (ASJC) codes

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