Unraveling the weak hydrogen bonds of ethynylpyridines and ethynylbenzene with trimethylphosphate — A combined FT-Raman spectroscopic and quantum-chemical study

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Unraveling the weak hydrogen bonds of ethynylpyridines and ethynylbenzene with trimethylphosphate — A combined FT-Raman spectroscopic and quantum-chemical study

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作者：Danijela Vojta^a ; ^{dvojta@irb.hr" class="auth_mail" title="E-mail the corresponding author} ; Tomislav Horvat^b ; Snežana Miljanić^c ; Mario Vazdar^a
关键词：Ethynyl compounds ; Hydrogen bonding ; Vibrational dephasing ; CC moiety ; FT-Raman spectroscopy ; Quantum chemical calculations
刊名：Journal of Molecular Liquids
出版年：2016
出版时间：June 2016
年：2016
卷：218
期：Complete
页码：499-507
全文大小：1021 K

文摘

class="label">•: FT-Raman spectroscopy was employed in identification of weak hydrogen bonds.
class="label">•: The engagement of ethynyl moiety in hydrogen bonding was expressed in terms of vibrational dephasing parameters.
class="label">•: The impact of N-atom of 2-ethynylpyridine on frequency modulation time of hydrogen-bonded Cc="/sd/grey_pxl.gif" class="glyphImg imgLazyJSB">cript>c="http://cdn.els-cdn.com/sd/entities/tbnd" class="glyphImg">cript>C stretching was demonstrated.
class="label">•: Ortho-positioned H-atom of 3-ethynylpyridine was proposed to be included in the overall hydrogen bonding interplay.
class="label">•: Experimental findings were supported by calculations at the MP2/6-311 + G(d,p) level of theory.