Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy

Santino J. Stropoli; Thien Khuu; Joseph P. Messinger; Natalia V. Karimova; Mark A. Boyer; Itai Zakai; Sayoni Mitra; Anton L. Lachowicz; Nan Yang; Sean C. Edington; R. Benny Gerber; Anne B. McCoy; Mark A. Johnson

doi:10.1021/acs.jpclett.2c00218

Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl^-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy

Santino J. Stropoli
, Thien Khuu
, Joseph P. Messinger
, Natalia V. Karimova
, Mark A. Boyer
, Itai Zakai
, Sayoni Mitra
, Anton L. Lachowicz
, Nan Yang
, Sean C. Edington
, R. Benny Gerber^*
, Anne B. McCoy
, Mark A. Johnson

^*Corresponding author for this work

Institute of Chemistry

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

11 Scopus citations

Abstract

In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon formation of the ion-molecule complexes [XHOY]^-(X, Y = Cl, Br, I): a hydrogen (HB) bond to the acid OH group and a halogen (XB) bond between the anion and the acid halogen. Here we isolate the X-bonded Cl^-·IOH ion-molecule complex by collisions of I^-·(H₂O)_nclusters with HOCl vapor and measure its vibrational spectrum by IR photodissociation of the H₂-tagged complex. Anharmonic analysis of its vibrational band pattern reveals that formation of the XB complex results in dramatic lowering of the HOI bending fundamental frequency and elongation of the O-I bond (by 168 cm^-1and 0.13 Å, respectively, relative to isolated HOI).

Original language	English
Pages (from-to)	2750-2756
Number of pages	7
Journal	Journal of Physical Chemistry Letters
Volume	13
Issue number	12
DOIs	https://doi.org/10.1021/acs.jpclett.2c00218
State	Published - 31 Mar 2022

Bibliographical note

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© 2022 American Chemical Society. All rights reserved.

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10.1021/acs.jpclett.2c00218

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Stropoli, S. J., Khuu, T., Messinger, J. P., Karimova, N. V., Boyer, M. A., Zakai, I., Mitra, S., Lachowicz, A. L., Yang, N., Edington, S. C., Gerber, R. B., McCoy, A. B., & Johnson, M. A. (2022). Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl^-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy. Journal of Physical Chemistry Letters, 13(12), 2750-2756. https://doi.org/10.1021/acs.jpclett.2c00218

@article{8e6fcb4afc07444c88c3ab8fc8a492e1,

title = "Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy",

abstract = "In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon formation of the ion-molecule complexes [XHOY]-(X, Y = Cl, Br, I): a hydrogen (HB) bond to the acid OH group and a halogen (XB) bond between the anion and the acid halogen. Here we isolate the X-bonded Cl-·IOH ion-molecule complex by collisions of I-·(H2O)nclusters with HOCl vapor and measure its vibrational spectrum by IR photodissociation of the H2-tagged complex. Anharmonic analysis of its vibrational band pattern reveals that formation of the XB complex results in dramatic lowering of the HOI bending fundamental frequency and elongation of the O-I bond (by 168 cm-1and 0.13 {\AA}, respectively, relative to isolated HOI).",

author = "Stropoli, \{Santino J.\} and Thien Khuu and Messinger, \{Joseph P.\} and Karimova, \{Natalia V.\} and Boyer, \{Mark A.\} and Itai Zakai and Sayoni Mitra and Lachowicz, \{Anton L.\} and Nan Yang and Edington, \{Sean C.\} and Gerber, \{R. Benny\} and McCoy, \{Anne B.\} and Johnson, \{Mark A.\}",

year = "2022",

month = mar,

day = "31",

doi = "10.1021/acs.jpclett.2c00218",

language = "אנגלית",

volume = "13",

pages = "2750--2756",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "12",

}

Stropoli, SJ, Khuu, T, Messinger, JP, Karimova, NV, Boyer, MA, Zakai, I, Mitra, S, Lachowicz, AL, Yang, N, Edington, SC, Gerber, RB, McCoy, AB & Johnson, MA 2022, 'Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl^-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy', Journal of Physical Chemistry Letters, vol. 13, no. 12, pp. 2750-2756. https://doi.org/10.1021/acs.jpclett.2c00218

TY - JOUR

T1 - Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy

AU - Stropoli, Santino J.

AU - Khuu, Thien

AU - Messinger, Joseph P.

AU - Karimova, Natalia V.

AU - Boyer, Mark A.

AU - Zakai, Itai

AU - Mitra, Sayoni

AU - Lachowicz, Anton L.

AU - Yang, Nan

AU - Edington, Sean C.

AU - Gerber, R. Benny

AU - McCoy, Anne B.

AU - Johnson, Mark A.

PY - 2022/3/31

Y1 - 2022/3/31

N2 - In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon formation of the ion-molecule complexes [XHOY]-(X, Y = Cl, Br, I): a hydrogen (HB) bond to the acid OH group and a halogen (XB) bond between the anion and the acid halogen. Here we isolate the X-bonded Cl-·IOH ion-molecule complex by collisions of I-·(H2O)nclusters with HOCl vapor and measure its vibrational spectrum by IR photodissociation of the H2-tagged complex. Anharmonic analysis of its vibrational band pattern reveals that formation of the XB complex results in dramatic lowering of the HOI bending fundamental frequency and elongation of the O-I bond (by 168 cm-1and 0.13 Å, respectively, relative to isolated HOI).

AB - In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon formation of the ion-molecule complexes [XHOY]-(X, Y = Cl, Br, I): a hydrogen (HB) bond to the acid OH group and a halogen (XB) bond between the anion and the acid halogen. Here we isolate the X-bonded Cl-·IOH ion-molecule complex by collisions of I-·(H2O)nclusters with HOCl vapor and measure its vibrational spectrum by IR photodissociation of the H2-tagged complex. Anharmonic analysis of its vibrational band pattern reveals that formation of the XB complex results in dramatic lowering of the HOI bending fundamental frequency and elongation of the O-I bond (by 168 cm-1and 0.13 Å, respectively, relative to isolated HOI).

UR - https://www.scopus.com/pages/publications/85127587893

U2 - 10.1021/acs.jpclett.2c00218

DO - 10.1021/acs.jpclett.2c00218

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C2 - 35315676

AN - SCOPUS:85127587893

SN - 1948-7185

VL - 13

SP - 2750

EP - 2756

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 12

ER -

Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl^-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy

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