C-S Bond Cleavage at an Electrophilic Zirconium Center: Synthesis, Structure, and Thermal Decomposition of [Cp2Zr(S-t-C4H9)(THF)][BPh4]

Warren E. Piers; Linda Koch; Diane S. Ridge; Leonard R. MacGillivray; Michael Zaworotko

doi:10.1021/om00045a036

C-S Bond Cleavage at an Electrophilic Zirconium Center: Synthesis, Structure, and Thermal Decomposition of [Cp₂Zr(S-t-C₄H₉)(THF)][BPh₄]

Warren E. Piers
, Linda Koch
, Diane S. Ridge
, Leonard R. MacGillivray
, Michael Zaworotko

University of Guelph
Saint Mary's University Halifax

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

Abstract

Protonolysls of [Cp₂ZrCH₃(THF)] [BPh₄] with tert-butyl mercaptan leads to the (thlolato)zirconocene cation [Cp₂Zr(S-t-C₄H₉×THF)][BPh₄] in 79% yield. In addition to the usual spectroscopic methods the complex was characterized by X-ray crystallography (monoclinic, P2₁/c, a = 10.111 (4) Å, b = 18.6066 (18) Å, c = 19.408 (7) Å, β = 94.31 (2)°, Z = 4, R = 0.036). Structural parameters and THF exchange rates point to a less electrophilic Zr center than In the parent alkyl species. Nevertheless, the center is electrophilic enough to Induce C-S bond cleavage under thermal duress.

Original language	English
Pages (from-to)	3148-3152
Number of pages	5
Journal	Organometallics
Volume	11
Issue number	9
DOIs	https://doi.org/10.1021/om00045a036
Publication status	Published - 1 Sep 1992
Externally published	Yes

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@article{df26a65fa28b49ef8d58466917027ec6,

title = "C-S Bond Cleavage at an Electrophilic Zirconium Center: Synthesis, Structure, and Thermal Decomposition of [Cp2Zr(S-t-C4H9)(THF)][BPh4]",

abstract = "Protonolysls of [Cp2ZrCH3(THF)] [BPh4] with tert-butyl mercaptan leads to the (thlolato)zirconocene cation [Cp2Zr(S-t-C4H9×THF)][BPh4] in 79\% yield. In addition to the usual spectroscopic methods the complex was characterized by X-ray crystallography (monoclinic, P21/c, a = 10.111 (4) {\AA}, b = 18.6066 (18) {\AA}, c = 19.408 (7) {\AA}, β = 94.31 (2)°, Z = 4, R = 0.036). Structural parameters and THF exchange rates point to a less electrophilic Zr center than In the parent alkyl species. Nevertheless, the center is electrophilic enough to Induce C-S bond cleavage under thermal duress.",

author = "Piers, \{Warren E.\} and Linda Koch and Ridge, \{Diane S.\} and MacGillivray, \{Leonard R.\} and Michael Zaworotko",

year = "1992",

month = sep,

day = "1",

doi = "10.1021/om00045a036",

language = "English",

volume = "11",

pages = "3148--3152",

journal = "Organometallics",

issn = "0276-7333",

number = "9",

}

TY - JOUR

T1 - C-S Bond Cleavage at an Electrophilic Zirconium Center

T2 - Synthesis, Structure, and Thermal Decomposition of [Cp2Zr(S-t-C4H9)(THF)][BPh4]

AU - Piers, Warren E.

AU - Koch, Linda

AU - Ridge, Diane S.

AU - MacGillivray, Leonard R.

AU - Zaworotko, Michael

PY - 1992/9/1

Y1 - 1992/9/1

N2 - Protonolysls of [Cp2ZrCH3(THF)] [BPh4] with tert-butyl mercaptan leads to the (thlolato)zirconocene cation [Cp2Zr(S-t-C4H9×THF)][BPh4] in 79% yield. In addition to the usual spectroscopic methods the complex was characterized by X-ray crystallography (monoclinic, P21/c, a = 10.111 (4) Å, b = 18.6066 (18) Å, c = 19.408 (7) Å, β = 94.31 (2)°, Z = 4, R = 0.036). Structural parameters and THF exchange rates point to a less electrophilic Zr center than In the parent alkyl species. Nevertheless, the center is electrophilic enough to Induce C-S bond cleavage under thermal duress.

AB - Protonolysls of [Cp2ZrCH3(THF)] [BPh4] with tert-butyl mercaptan leads to the (thlolato)zirconocene cation [Cp2Zr(S-t-C4H9×THF)][BPh4] in 79% yield. In addition to the usual spectroscopic methods the complex was characterized by X-ray crystallography (monoclinic, P21/c, a = 10.111 (4) Å, b = 18.6066 (18) Å, c = 19.408 (7) Å, β = 94.31 (2)°, Z = 4, R = 0.036). Structural parameters and THF exchange rates point to a less electrophilic Zr center than In the parent alkyl species. Nevertheless, the center is electrophilic enough to Induce C-S bond cleavage under thermal duress.

UR - https://www.scopus.com/pages/publications/0000401024

U2 - 10.1021/om00045a036

DO - 10.1021/om00045a036

M3 - Article

AN - SCOPUS:0000401024

SN - 0276-7333

VL - 11

SP - 3148

EP - 3152

JO - Organometallics

JF - Organometallics

IS - 9

ER -

C-S Bond Cleavage at an Electrophilic Zirconium Center: Synthesis, Structure, and Thermal Decomposition of [Cp₂Zr(S-t-C₄H₉)(THF)][BPh₄]

Abstract

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