Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni⋯H–C interactions

Arul Prakasam Balasubramaniam; Anssi Peuronen; Manu Lahtinen; Muruganandham Manickavachagam; Erkki Kolehmainen; Esa Haapaniemi; Mika Sillanpää

doi:10.1016/j.poly.2016.11.027

Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni⋯H–C interactions

Arul Prakasam Balasubramaniam, Anssi Peuronen, Manu Lahtinen, Muruganandham Manickavachagam, Erkki Kolehmainen, Esa Haapaniemi, Mika Sillanpää

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

14 Citations (Scopus)

Abstract

Five new Ni(II) dithiocarbamates with NiS₄, NiS₂PN and NiS₂PCl coordination spheres, viz. [Ni(bupmbzdtc)₂] (1), [Ni(bupmbzdtc)(PPh₃)(NCS)] (2), [Ni(bupmbzdtc)(PPh₃)Cl] (3), [Ni(4-dpmpzdtc)(PPh₃)Cl] (4) and [Ni(pbbzbudtc)(PPh₃)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh₃ = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C–H⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 Å respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.

Original language	English
Pages (from-to)	453-461
Number of pages	9
Journal	Polyhedron
Volume	123
DOIs	https://doi.org/10.1016/j.poly.2016.11.027
Publication status	Published - 2017
Externally published	Yes

Keywords

C–H⋯Ni interaction
DFT
Dithiocarbamate
NMR
X-ray structural analysis

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/j.poly.2016.11.027

Cite this

@article{f0a0e65fdbfe4e5d8d74f2bcd31c03fd,

title = "Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni⋯H–C interactions",

abstract = "Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C–H⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 {\AA} respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.",

keywords = "C–H⋯Ni interaction, DFT, Dithiocarbamate, NMR, X-ray structural analysis",

author = "Balasubramaniam, {Arul Prakasam} and Anssi Peuronen and Manu Lahtinen and Muruganandham Manickavachagam and Erkki Kolehmainen and Esa Haapaniemi and Mika Sillanp{\"a}{\"a}",

note = "Publisher Copyright: {\textcopyright} 2016 Elsevier Ltd",

year = "2017",

doi = "10.1016/j.poly.2016.11.027",

language = "English",

volume = "123",

pages = "453--461",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier Ltd.",

}

TY - JOUR

T1 - Synthesis and structural studies on Ni(II) dithiocarbamates

T2 - Exploring intramolecular Ni⋯H–C interactions

AU - Balasubramaniam, Arul Prakasam

AU - Peuronen, Anssi

AU - Lahtinen, Manu

AU - Manickavachagam, Muruganandham

AU - Kolehmainen, Erkki

AU - Haapaniemi, Esa

AU - Sillanpää, Mika

PY - 2017

Y1 - 2017

N2 - Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C–H⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 Å respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.

AB - Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C–H⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 Å respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.

KW - C–H⋯Ni interaction

KW - DFT

KW - Dithiocarbamate

KW - NMR

KW - X-ray structural analysis

UR - http://www.scopus.com/inward/record.url?scp=85009129567&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2016.11.027

DO - 10.1016/j.poly.2016.11.027

M3 - Article

AN - SCOPUS:85009129567

SN - 0277-5387

VL - 123

SP - 453

EP - 461

JO - Polyhedron

JF - Polyhedron

ER -

Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni⋯H–C interactions

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this