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

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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).

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U2 - 10.1021/acs.jpclett.2c00218

DO - 10.1021/acs.jpclett.2c00218

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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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