Correlation of electronic structure and bending force constants in some linear molecules

Wm Hayden Smith; George E. Leroi

doi:10.1063/1.1727829

Correlation of electronic structure and bending force constants in some linear molecules

Wm Hayden Smith
, George E. Leroi

Department of Earth & Planetary Sciences

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

16 Scopus citations

Abstract

A qualitative relationship between electron density in the outermost occupied orbital at the central carbon atom and ease of bending is described for several triatomic and pentatomic linear molecules, including CO₂, C₃, NCN, C₃N₂, C₃O₂, C₃S₂, and C₃H₄. Both valence bond and molecular orbital models are discussed.

Original language	English
Pages (from-to)	1784-1786
Number of pages	3
Journal	The Journal of Chemical Physics
Volume	45
Issue number	5
DOIs	https://doi.org/10.1063/1.1727829
State	Published - 1966

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title = "Correlation of electronic structure and bending force constants in some linear molecules",

abstract = "A qualitative relationship between electron density in the outermost occupied orbital at the central carbon atom and ease of bending is described for several triatomic and pentatomic linear molecules, including CO2, C3, NCN, C3N2, C3O2, C3S2, and C3H4. Both valence bond and molecular orbital models are discussed.",

author = "\{Hayden Smith\}, Wm and Leroi, \{George E.\}",

year = "1966",

doi = "10.1063/1.1727829",

language = "English",

volume = "45",

pages = "1784--1786",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

number = "5",

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TY - JOUR

T1 - Correlation of electronic structure and bending force constants in some linear molecules

AU - Hayden Smith, Wm

AU - Leroi, George E.

PY - 1966

Y1 - 1966

N2 - A qualitative relationship between electron density in the outermost occupied orbital at the central carbon atom and ease of bending is described for several triatomic and pentatomic linear molecules, including CO2, C3, NCN, C3N2, C3O2, C3S2, and C3H4. Both valence bond and molecular orbital models are discussed.

AB - A qualitative relationship between electron density in the outermost occupied orbital at the central carbon atom and ease of bending is described for several triatomic and pentatomic linear molecules, including CO2, C3, NCN, C3N2, C3O2, C3S2, and C3H4. Both valence bond and molecular orbital models are discussed.

UR - https://www.scopus.com/pages/publications/5444276166

U2 - 10.1063/1.1727829

DO - 10.1063/1.1727829

M3 - Article

AN - SCOPUS:5444276166

SN - 0021-9606

VL - 45

SP - 1784

EP - 1786

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 5

ER -

Correlation of electronic structure and bending force constants in some linear molecules

Abstract

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