Untangling the reaction dynamics of the silylidyne radical (SiH; X2Π) with acetylene (C2H2; X1Σg+)

Tao Yang; Beni B. Dangi; Aaron M. Thomas; Ralf I. Kaiser

doi:10.1016/j.cplett.2016.05.003

Untangling the reaction dynamics of the silylidyne radical (SiH; X²Π) with acetylene (C₂H₂; X¹Σ_g⁺)

Tao Yang
, Beni B. Dangi
, Aaron M. Thomas
, Ralf I. Kaiser^*

^*Corresponding author for this work

University of Hawai'i at Mānoa

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

5 Scopus citations

Abstract

The chemical reaction dynamics of silylidyne (SiH; X²Π) with acetylene (C₂H₂; X¹Σ_g⁺) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1-silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC₂H₂) in an overall exoergic reaction (experiment: -14.7 ± 8.5 kJ mol^-1; theory: -13 ± 3 kJ mol^-1). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol^-1.

Original language	English
Pages (from-to)	58-62
Number of pages	5
Journal	Chemical Physics Letters
Volume	654
DOIs	https://doi.org/10.1016/j.cplett.2016.05.003
State	Published - 16 Jun 2016
Externally published	Yes

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@article{b620c3a7c8534d188fdc20b3d00ea59f,

title = "Untangling the reaction dynamics of the silylidyne radical (SiH; X2Π) with acetylene (C2H2; X1Σg+)",

abstract = "The chemical reaction dynamics of silylidyne (SiH; X2Π) with acetylene (C2H2; X1Σg+) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1-silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC2H2) in an overall exoergic reaction (experiment: -14.7 ± 8.5 kJ mol-1; theory: -13 ± 3 kJ mol-1). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol-1.",

author = "Tao Yang and Dangi, \{Beni B.\} and Thomas, \{Aaron M.\} and Kaiser, \{Ralf I.\}",

year = "2016",

month = jun,

day = "16",

doi = "10.1016/j.cplett.2016.05.003",

language = "英语",

volume = "654",

pages = "58--62",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Untangling the reaction dynamics of the silylidyne radical (SiH; X2Π) with acetylene (C2H2; X1Σg+)

AU - Yang, Tao

AU - Dangi, Beni B.

AU - Thomas, Aaron M.

AU - Kaiser, Ralf I.

PY - 2016/6/16

Y1 - 2016/6/16

N2 - The chemical reaction dynamics of silylidyne (SiH; X2Π) with acetylene (C2H2; X1Σg+) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1-silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC2H2) in an overall exoergic reaction (experiment: -14.7 ± 8.5 kJ mol-1; theory: -13 ± 3 kJ mol-1). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol-1.

AB - The chemical reaction dynamics of silylidyne (SiH; X2Π) with acetylene (C2H2; X1Σg+) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1-silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC2H2) in an overall exoergic reaction (experiment: -14.7 ± 8.5 kJ mol-1; theory: -13 ± 3 kJ mol-1). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol-1.

UR - https://www.scopus.com/pages/publications/84966430189

U2 - 10.1016/j.cplett.2016.05.003

DO - 10.1016/j.cplett.2016.05.003

M3 - 文章

AN - SCOPUS:84966430189

SN - 0009-2614

VL - 654

SP - 58

EP - 62

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Untangling the reaction dynamics of the silylidyne radical (SiH; X²Π) with acetylene (C₂H₂; X¹Σ_g⁺)

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