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Hydrogen bond induced enhancement of Fermi resonances in N-H center dot center dot center dot N hydrogen bonded complexes of anilines

Autor: MISHRA, S, KUO, JL, PATWARI, GN

Publikováno v: IndraStra Global.

The hydrogen-bonded complexes of aniline, 4-fluoroaniline and 4-ethynylaniline with ammonia, methylamine, dimethylamine, trimethylamine and triethylamine, were investigated using IR-UV double resonance spectroscopy. The formation of N-HN hydrogen bon

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::ad33e28708d0d82cfca7a38e8504acdb
http://dspace.library.iitb.ac.in/xmlui/handle/100/24777

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The propargylbenzene dimer: C-H center dot center dot center dot pi assisted pi-pi stacking

Autor: KUNDU, A, SEN, S, PATWARI, GN

Publikováno v: IndraStra Global.

The propargylbenzene dimer was investigated using mass selected electronic and infrared spectroscopy in combination with quantum chemical calculations. The IR spectrum in the acetylenic C-H stretching region indicates that the two propargylbenzene un

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::c491d246faa07d279a4d097fa1d45213
http://dspace.library.iitb.ac.in/jspui/handle/100/18002

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Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay

Autor: MONDAL, SI, DEY, A, SEN, S, PATWARI, GN, GHOSH, D

Publikováno v: IndraStra Global.

Binary complexes of 2,6-difluorophenylacetylene with methylamine, dimethylamine, trimethylamine and triethylamine were investigated using one colour resonant two photon ionization and infrared-optical double resonance spectroscopic techniques combine

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::9ed515c4a9450bdd48a456a14c915c30
https://igi.indrastra.com/items/show/56967

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A Combined Spectroscopic and ab Initio Investigation of Phenylacetylene-Methylamine Complex. Observation of sigma and pi Type Hydrogen-Bonded Configurations and Fluorescence Quenching by Weak C-H center dot center dot center dot N Hydrogen Bonding

Autor: MAITY, S, DEY, A, PATWARI, GN, KARTHIKEYAN, S, KIM, KS

Publikováno v: IndraStra Global.

Two distinct isomers for the binary complex between phenylacetylene and methylamine were observed. The first complex is characterized by the presence of a C-H center dot center dot center dot N hydrogen bond between the acetylenic C-H group and the N

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::b73938b84e503f1c48be693b5687153f
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3681

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Infrared-optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C-H center dot center dot center dot pi interactions

Autor: MAITY, S, SEDLAK, R, HOBZA, P, PATWARI, GN

Publikováno v: IndraStra Global.

The structure of the binary complex between phenylacetylene and borane-trimethylamine has been elucidated using IR-UV double resonance spectroscopy in combination with high level ab initio calculations at the CCSD(T) level. Borane-trimethylamine inte

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::821117eb3b81e9d08fbd07be708334ac
https://igi.indrastra.com/items/show/46557

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Theoretical investigation of C-H center dot center dot center dot H-B dihydrogen bonded complexes of acetylenes with borane-trimethylamine

Autor: SINGH, PC, PATWARI, GN

Publikováno v: IndraStra Global.

Formation of C-H... H-B dihydrogen bonded complexes of acetylene, fluoroacetylene, chloroacetylene, and cyanoacetylene with borane-trimethylamine were investigated with MP2 and B3LYP methods using 6-311++G(d,p) and aug-cc-pVDZ basis sets. The stabili

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::82fdd846b85122dca2871013298b1b41
http://dspace.library.iitb.ac.in/xmlui/handle/10054/7090

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The C-H center dot center dot center dot H-B dihydrogen bonded borane-trimethylamine dimer: A computational study

Autor: SINGH, PC, PATWARI, GN

Publikováno v: IndraStra Global.

Formation of C-(HH)-H-. . .-B dihydrogen bonded borane-trimethylamine dimer was investigated using ab initio and DFT-B3LYP methods using several basis sets. The (HH)-H-. . . contact distance of less than 2.4 angstrom was used as a criterion to infer

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn23813652::5fbd7bb7f8657aa9f344b0a269018592
http://hdl.handle.net/10054/7067

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