Effect of N-HS amide-thiolate hydrogen bonding on bond lengths in rubredoxin models [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2]

Wesley P. Chung; John C. Dewan; Mark Tuckerman; Marc A. Walters

doi:10.1016/s0020-1693(99)00159-0

Effect of N-HS amide-thiolate hydrogen bonding on bond lengths in rubredoxin models [(CH₃)₃NCH₂CONH₂] ₂[M(S₂-o-xyl)₂]

Wesley P. Chung, John C. Dewan, Mark Tuckerman, Marc A. Walters

Chemistry

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

Abstract

The complexes [(CH₃)₃NCH₂CONH₂] ₂[M(S₂-o-xyl)₂], M=Fe (1), Co (2), and [(CH₃)₄N]₂[Co(S₂-o-xyl) ₂]·1/2C₂H₅OH (3) have been characterized by X-ray crystallography and vibrational spectroscopy. Complexes 1 and 2 exhibit linear one-dimensional concatenated hydrogen bonded structures. In complex 2 there is an increase in the average metal-ligand bond length in the hydrogen-bonded form relative to 3, which contains a non-hydrogen bonded congener.

Original language	English (US)
Pages (from-to)	388-394
Number of pages	7
Journal	Inorganica Chimica Acta
Volume	291
Issue number	1-2
DOIs	https://doi.org/10.1016/s0020-1693(99)00159-0
State	Published - Aug 1999

Keywords

Amide
Crystal structures
Hydrogen bonding
Rubredoxin models
Thiolate

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/s0020-1693(99)00159-0

Cite this

@article{dcf12e1acbb14549b3cdcecb5efc2da4,

title = "Effect of N-HS amide-thiolate hydrogen bonding on bond lengths in rubredoxin models [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2]",

abstract = "The complexes [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2], M=Fe (1), Co (2), and [(CH3)4N]2[Co(S2-o-xyl) 2]·1/2C2H5OH (3) have been characterized by X-ray crystallography and vibrational spectroscopy. Complexes 1 and 2 exhibit linear one-dimensional concatenated hydrogen bonded structures. In complex 2 there is an increase in the average metal-ligand bond length in the hydrogen-bonded form relative to 3, which contains a non-hydrogen bonded congener.",

keywords = "Amide, Crystal structures, Hydrogen bonding, Rubredoxin models, Thiolate",

author = "Chung, {Wesley P.} and Dewan, {John C.} and Mark Tuckerman and Walters, {Marc A.}",

note = "Funding Information: We thank Professor Joseph Dannenberg for helpful discussions. This investigation has been supported by the EXXON Education Foundation, the National Science Foundation (Grant No. CHE-9203455) and the National Institutes of Health (Grant No. 1R01 GM 47933) to M.A. Walters. ",

year = "1999",

month = aug,

doi = "10.1016/s0020-1693(99)00159-0",

language = "English (US)",

volume = "291",

pages = "388--394",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier BV",

number = "1-2",

}

TY - JOUR

T1 - Effect of N-HS amide-thiolate hydrogen bonding on bond lengths in rubredoxin models [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2]

AU - Chung, Wesley P.

AU - Dewan, John C.

AU - Tuckerman, Mark

AU - Walters, Marc A.

N1 - Funding Information: We thank Professor Joseph Dannenberg for helpful discussions. This investigation has been supported by the EXXON Education Foundation, the National Science Foundation (Grant No. CHE-9203455) and the National Institutes of Health (Grant No. 1R01 GM 47933) to M.A. Walters.

PY - 1999/8

Y1 - 1999/8

N2 - The complexes [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2], M=Fe (1), Co (2), and [(CH3)4N]2[Co(S2-o-xyl) 2]·1/2C2H5OH (3) have been characterized by X-ray crystallography and vibrational spectroscopy. Complexes 1 and 2 exhibit linear one-dimensional concatenated hydrogen bonded structures. In complex 2 there is an increase in the average metal-ligand bond length in the hydrogen-bonded form relative to 3, which contains a non-hydrogen bonded congener.

AB - The complexes [(CH3)3NCH2CONH2] 2[M(S2-o-xyl)2], M=Fe (1), Co (2), and [(CH3)4N]2[Co(S2-o-xyl) 2]·1/2C2H5OH (3) have been characterized by X-ray crystallography and vibrational spectroscopy. Complexes 1 and 2 exhibit linear one-dimensional concatenated hydrogen bonded structures. In complex 2 there is an increase in the average metal-ligand bond length in the hydrogen-bonded form relative to 3, which contains a non-hydrogen bonded congener.

KW - Amide

KW - Crystal structures

KW - Hydrogen bonding

KW - Rubredoxin models

KW - Thiolate

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U2 - 10.1016/s0020-1693(99)00159-0

DO - 10.1016/s0020-1693(99)00159-0

M3 - Article

AN - SCOPUS:0001225184

SN - 0020-1693

VL - 291

SP - 388

EP - 394

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

IS - 1-2

ER -