CO2 capture and activation by superbase/polyethylene glycol and its subsequent conversion

Yang, Zhenzhen; He, Liang‐Nian; Zhao, Yanan; Li, Bin; Yu, Bing

doi:10.1039/c1ee02156g

Cited by 216 publications

(121 citation statements)

References 39 publications

(3 reference statements)

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“…In the light of the extensively reported ability of DBU to capture CO 2 in the presence of H-donors (Heldebrant et al , 2008Jessop et al 2005;Yang et al 2011;Mizuno et al 2012;Carrera et al 2015;Rajamanickam et al 2015), these observations could be interpreted as indicative of CO 2 interactions with cellulose/NaO-H(aq) along with changes in the dissolved state stability.…”

Section: Initial Dissolution and Regeneration Studiesmentioning

confidence: 99%

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

2017

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A natural abundance of the air CO 2 in NaOH(aq) at low temperature was investigated in terms of cellulose-CO 2 interactions upon cellulose dissolution in this system. An organic superbase, namely 1,8-diazabicyclo[5.4.0]undec-7-ene, DBU, known for its ability to incorporate CO 2 in carbohydrates, was employed in order to shed light on this previously overlooked feature of NaOH(aq) at low temperature. The chemisorption of CO 2 onto cellulose was investigated using spectroscopic methods in combination with suitable regeneration procedures. ATR-IR and NMR characterisation of regenerated celluloses showed that chemisorption of CO 2 onto cellulose during its dissolution in NaOH(aq) takes place both with and without employment of the CO 2 -capturing superbase. The chemisorption was also observed to be reversible upon addition of water: CO 2 desorbed when water was used as regenerating agent but could be preserved when instead ethanol was used. This finding could be an important parameter to take into consideration when developing processes for dissolution of cellulose based on this system.

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Section: Initial Dissolution and Regeneration Studiesmentioning

confidence: 99%

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

2017

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“…However, most catalysts can be reused no more than 3-4 times. Carbon dioxide has been also reacted with aziridines and ionic liquids as catalysts, affording oxazolidones, which are valuable intermediates in several organic synthesis [47][48][49][50].…”

Section: Introductionmentioning

confidence: 99%

Carbon dioxide uptake as ammonia and amine carbamates and their efficient conversion into urea and 1,3-disubstituted ureas

Barzagli

Mani

Peruzzini

2016

Journal of CO2 Utilization

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“…3.0]-non-5-ene (DBN), and polycyclic diazatricyclo[5.3.1.1 2,6 ]dodecane in combination with alcohol were able to capture CO 2 for the formation of the corresponding amidinium/guanidinium alkyl carbonate salts. 15,34 As a result, the design of novel and efficient organic superbases is an active field of research . We have reported herein a series of carbene superbases based on the [3.3] paracyclophane system. The design of novel organic superbases with minimum functional groups is synthetically attractive by exploiting the noncovalent C− H + ···π interactions.…”

Section: Introductionmentioning

confidence: 99%

In Silico Studies in Exploiting Weak Noncovalent C–H⁺···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with Paracyclophane-Based Carbene Derivatives

Ganguly

2013

J. Phys. Chem. C

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This work reports that noncovalent interactions can be exploited to achieve hyperbasicity of a base. A new class of superbase has been identified using paracyclophane-based carbenes that possess a proton affinity (PA) value of 1251.4 kJ/mol at the M06-2X/6-311+G**//B3LYP/6-31+G* level of theory. Noncovalent interactions such as C−H + ···π and through-space π−π interactions amplify the basicity of such carbene systems by the stabilization of their protonated forms. These paracyclophane systems can be a suitable candidate for bis-protonation with the highest pK a (MeCN) value of 50.1 to date. The side phenyl ring in paracyclophane systems that is not directly involved in C−H + ···π type interactions contributes to augment the basicity by throughspace π−π interactions. The side ring of the paracyclophane system is involved in enhancement of the proton affinity of 19.3 kJ/mol via through-space π−π interaction. Molecular electrostatic potential (MESP) analysis shows that such noncovalent interactions can enhance the electron density at the reactive sites in suitably designed systems. The absolute minima of the MESP (V min ) located for these carbene systems correlate well with their calculated proton affinity values. The frontier molecular orbital energy differences (HOMO−LUMO) of such carbenes also correlate well with their proton affinity results. These paracyclophane-based carbene systems can be used for selective binding of lithium ions. Such lithium decorated systems can be exploited as a molecular container for the storage of multiple dihydrogen. This is the first example of the use of lithiated organic superbases as hydrogen storage material. The calculated conceptual density functional theory-based reactivity descriptors such as electronegativity, hardness, and electrophilicity indicate the stability of these H 2 trapped molecules. The calculated desorption energies per H 2 molecule (ΔE DE ) also indicate the recyclable property of the hydrogen storage materials.

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CO2 capture and activation by superbase/polyethylene glycol and its subsequent conversion

Cited by 216 publications

References 39 publications

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

Carbon dioxide uptake as ammonia and amine carbamates and their efficient conversion into urea and 1,3-disubstituted ureas

In Silico Studies in Exploiting Weak Noncovalent C–H⁺···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with Paracyclophane-Based Carbene Derivatives

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CO2 capture and activation by superbase/polyethylene glycol and its subsequent conversion

Cited by 216 publications

References 39 publications

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

Chemisorption of air CO2 on cellulose: an overlooked feature of the cellulose/NaOH(aq) dissolution system

Carbon dioxide uptake as ammonia and amine carbamates and their efficient conversion into urea and 1,3-disubstituted ureas

In Silico Studies in Exploiting Weak Noncovalent C–H+···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with Paracyclophane-Based Carbene Derivatives

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Product

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In Silico Studies in Exploiting Weak Noncovalent C–H⁺···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with Paracyclophane-Based Carbene Derivatives