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

51 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

Publisher link

10.1021/j100055a001

Find It

Find It at U of M Libraries

Cite this

@article{c7dee071f4894377a84bdf83669e8c92,

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",

doi = "10.1021/j100055a001",

language = "English (US)",

volume = "98",

pages = "1049--1052",

journal = "Journal of physical chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

number = "4",

}

TY - JOUR

T1 - Structural distortion of CH3I in an ion-dipole precursor complex

AU - Hu, Wei Ping

AU - Truhlar, Donald G.

PY - 1994

Y1 - 1994

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/0000631388

UR - https://www.scopus.com/pages/publications/0000631388#tab=citedBy

U2 - 10.1021/j100055a001

DO - 10.1021/j100055a001

M3 - Article

AN - SCOPUS:0000631388

SN - 0022-3654

VL - 98

SP - 1049

EP - 1052

JO - Journal of physical chemistry

JF - Journal of physical chemistry

IS - 4

ER -

Structural distortion of CH₃I in an ion-dipole precursor complex

Abstract

Publisher link

Find It

Other files and links

Fingerprint

Cite this