Structural distortion of CH3I in an ion-dipole precursor complex

Wei Ping Hu; Donald G. Truhlar

doi:10.1021/j100055a001

Structural distortion of CH₃I in an ion-dipole precursor complex

Wei Ping Hu, Donald G. Truhlar

Chemistry (Twin Cities)

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

49 Scopus citations

Abstract

Extended basis set calculations including electron correlation are used to calculate the properties of I^-·CH₃I and I^-·CD₃I ion-molecule complexes. The results show smaller geometrical distortions of the molecular entity upon complexation than were inferred from recent experiments.

Original language	English (US)
Pages (from-to)	1049-1052
Number of pages	4
Journal	Journal of physical chemistry
Volume	98
Issue number	4
DOIs	https://doi.org/10.1021/j100055a001
State	Published - 1994

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title = "Structural distortion of CH3I in an ion-dipole precursor complex",

abstract = "Extended basis set calculations including electron correlation are used to calculate the properties of I-·CH3I and I-·CD3I ion-molecule complexes. The results show smaller geometrical distortions of the molecular entity upon complexation than were inferred from recent experiments.",

author = "Hu, {Wei Ping} and Truhlar, {Donald G.}",

year = "1994",

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AB - Extended basis set calculations including electron correlation are used to calculate the properties of I-·CH3I and I-·CD3I ion-molecule complexes. The results show smaller geometrical distortions of the molecular entity upon complexation than were inferred from recent experiments.

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Structural distortion of CH₃I in an ion-dipole precursor complex

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