MARC details
| 000 -LEADER |
|---|
| fixed length control field |
02270nam a22002897a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
ZW-GwMSU |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20250312070155.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
|---|
| fixed length control field |
250312b |||||||| |||| 00| 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER |
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| International Standard Serial Number |
09743626 |
| 040 ## - CATALOGING SOURCE |
|---|
| Original cataloging agency |
MSU |
| Language of cataloging |
English |
| Transcribing agency |
MSU |
| Description conventions |
rda |
| 050 00 - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD31 JOU |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Maity, Bholanath |
| Relator term |
author |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Role of ligands in controlling the regioselectivity in ruthenium-catalysed addition of carboxylic acids to terminal alkynes : |
| Remainder of title |
A DFT study / |
| Statement of responsibility, etc. |
created by Bholanath Maity, Totan Mondal, Kaustav Dey, Sankarsan Biswas and Debasis Koley |
| 264 1# - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE |
|---|
| Place of production, publication, distribution, manufacture |
Bangalore : |
| Name of producer, publisher, distributor, manufacturer |
Springer, |
| Date of production, publication, distribution, manufacture, or copyright notice |
2015. |
| 336 ## - CONTENT TYPE |
|---|
| Source |
rdacontent |
| Content type term |
text |
| Content type code |
txt |
| 337 ## - MEDIA TYPE |
|---|
| Source |
rdamedia |
| Media type term |
unmediated |
| Media type code |
n |
| 338 ## - CARRIER TYPE |
|---|
| Source |
rdacarrier |
| Carrier type term |
volume |
| Carrier type code |
nc |
| 440 ## - SERIES STATEMENT/ADDED ENTRY--TITLE |
|---|
| Title |
Journal of chemical sciences |
| Volume/sequential designation |
Volume 127, number 2, |
| 520 3# - SUMMARY, ETC. |
|---|
| Summary, etc. |
Density functional studies are performed to understand the role of chelating bi-phosphine ligands [(Ph2P(CH2)mPPh2); m=1–4] in modulating the regio-selectivity of benzoic acid addition to 1-hexyne, in presence of ruthenium(II) catalyst [(Ph2P(CH2)mPPh2)Ru(methallyl)2]. The Markovnikov addition to1-hexyne isobserved when catalyst1a[(Ph2P(CH2)PPh2)Ru(methallyl)2] is employed, whereas a reverseregio-selectivityis witnessed in presence of1d[(Ph2P(CH2)4PPh2)Ru(methallyl)2]. Anti-Markovnikovaddition occurs via the neutral vinylidene intermediates (5a/d)formed after 1,2-hydrogen shift in hexyne coordinated ruthenium(II)complexes3a/d. The energy profile shows clear preference forMarkovnikov addition by 15.0 kcal/mol (�GSL)in case of catalyst system1a. In contrast, anti-Markovnikov pathway following neutral vinylidenes are mor efavourable by 9.1 kcal/mol (�GSL)for catalyst system1d. The Z-enol ester formation is more predominant in the anti-Markovnikov pathway since the activation barrier for this step requires less energy (5.9 kcal/mol,�GSL)than the one furnishing the E-product. The calculated results are in good agreement with the reported experimental findings. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
Enol esters |
| Form subdivision |
DFT |
| General subdivision |
Regio-selectivity |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Mondal, Totan |
| Relator term |
co author |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Dey, Kaustav |
| Relator term |
co author |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Biswas, Sankarsan |
| Relator term |
co author |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Koley, Debasis |
| Relator term |
co author |
| 856 ## - ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
https://doi.org/10.1007/s12039-015-0775-4 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Library of Congress Classification |
| Koha item type |
Journal Article |