On the structure and thermochemistry of the van der Waals molecule C6H6·HCl and its photoion (C6H6·HCl)+

E. A. Walters; J. R. Grover; M. G. White; E. T. Hui

doi:10.1021/j100264a009

On the structure and thermochemistry of the van der Waals molecule C₆H₆·HCl and its photoion (C₆H₆·HCl)⁺

E. A. Walters
, J. R. Grover
, M. G. White
, E. T. Hui

Chemistry

Brookhaven National Laboratory
University of New Mexico
National Synchrotron Light Source/High Flux Beam Reactor (NSLS/HFBR

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

49 Scopus citations

Abstract

The dissociation energy of the van der Waals complex C₆H₆·HCl was determined to be 4.79 ± 0.12 kcal mol^-1 by measurement of the difference between the threshold for the dissociative photoionization of the complex and the ionization potential of C₆H₆. This value is compared to potential well depths obtained by analysis of centrifugal distortion constants for the same complex. The photoionization efficiency function for the production of (C₆H₆·HCl)+ from C₆H₆·HCl was obtained between 1280 and 1380 Å. A weak threshold for direct ionization at 1357 ± 7 Å (9.14 ± 0.05 eV) leads to a dissociation energy for (C₆H₆·HCl)⁺ of 7.3 ± 1.2 kcal mol^-1. The shape of the photoionization efficiency function is interpreted in terms of the involvement of the structure of the complex in the dissociation dynamics. Standard heats of formation are reported for C₆H₆·HCl (-10.4 kcal mol^-1) and (C₆H₆·HCl)⁺ (204 kcal mol^-1).

Original language	English
Pages (from-to)	3814-3818
Number of pages	5
Journal	Journal of Physical Chemistry
Volume	89
Issue number	18
DOIs	https://doi.org/10.1021/j100264a009
State	Published - 1985

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@article{83bebe980b744f1ead317a63f9db5c32,

title = "On the structure and thermochemistry of the van der Waals molecule C6H6·HCl and its photoion (C6H6·HCl)+",

abstract = "The dissociation energy of the van der Waals complex C6H6·HCl was determined to be 4.79 ± 0.12 kcal mol-1 by measurement of the difference between the threshold for the dissociative photoionization of the complex and the ionization potential of C6H6. This value is compared to potential well depths obtained by analysis of centrifugal distortion constants for the same complex. The photoionization efficiency function for the production of (C6H6·HCl)+ from C6H6·HCl was obtained between 1280 and 1380 {\AA}. A weak threshold for direct ionization at 1357 ± 7 {\AA} (9.14 ± 0.05 eV) leads to a dissociation energy for (C6H6·HCl)+ of 7.3 ± 1.2 kcal mol-1. The shape of the photoionization efficiency function is interpreted in terms of the involvement of the structure of the complex in the dissociation dynamics. Standard heats of formation are reported for C6H6·HCl (-10.4 kcal mol-1) and (C6H6·HCl)+ (204 kcal mol-1).",

author = "Walters, \{E. A.\} and Grover, \{J. R.\} and White, \{M. G.\} and Hui, \{E. T.\}",

year = "1985",

doi = "10.1021/j100264a009",

language = "English",

volume = "89",

pages = "3814--3818",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

number = "18",

}

TY - JOUR

T1 - On the structure and thermochemistry of the van der Waals molecule C6H6·HCl and its photoion (C6H6·HCl)+

AU - Walters, E. A.

AU - Grover, J. R.

AU - White, M. G.

AU - Hui, E. T.

PY - 1985

Y1 - 1985

N2 - The dissociation energy of the van der Waals complex C6H6·HCl was determined to be 4.79 ± 0.12 kcal mol-1 by measurement of the difference between the threshold for the dissociative photoionization of the complex and the ionization potential of C6H6. This value is compared to potential well depths obtained by analysis of centrifugal distortion constants for the same complex. The photoionization efficiency function for the production of (C6H6·HCl)+ from C6H6·HCl was obtained between 1280 and 1380 Å. A weak threshold for direct ionization at 1357 ± 7 Å (9.14 ± 0.05 eV) leads to a dissociation energy for (C6H6·HCl)+ of 7.3 ± 1.2 kcal mol-1. The shape of the photoionization efficiency function is interpreted in terms of the involvement of the structure of the complex in the dissociation dynamics. Standard heats of formation are reported for C6H6·HCl (-10.4 kcal mol-1) and (C6H6·HCl)+ (204 kcal mol-1).

AB - The dissociation energy of the van der Waals complex C6H6·HCl was determined to be 4.79 ± 0.12 kcal mol-1 by measurement of the difference between the threshold for the dissociative photoionization of the complex and the ionization potential of C6H6. This value is compared to potential well depths obtained by analysis of centrifugal distortion constants for the same complex. The photoionization efficiency function for the production of (C6H6·HCl)+ from C6H6·HCl was obtained between 1280 and 1380 Å. A weak threshold for direct ionization at 1357 ± 7 Å (9.14 ± 0.05 eV) leads to a dissociation energy for (C6H6·HCl)+ of 7.3 ± 1.2 kcal mol-1. The shape of the photoionization efficiency function is interpreted in terms of the involvement of the structure of the complex in the dissociation dynamics. Standard heats of formation are reported for C6H6·HCl (-10.4 kcal mol-1) and (C6H6·HCl)+ (204 kcal mol-1).

UR - https://www.scopus.com/pages/publications/0000387096

U2 - 10.1021/j100264a009

DO - 10.1021/j100264a009

M3 - Article

AN - SCOPUS:0000387096

SN - 0022-3654

VL - 89

SP - 3814

EP - 3818

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 18

ER -

On the structure and thermochemistry of the van der Waals molecule C₆H₆·HCl and its photoion (C₆H₆·HCl)⁺

Abstract

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