DCCNC

Vibrational and/or electronic energy levels

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


Σ⁺	1	CD stretch	2617.39	s	gas	IR	Burger, Sommer, et al., 1992
	1	CD stretch	2610		Ar	IR	Kolos and Waluk, 1997 Guennoun, Couturier-Tamburelli, et al., 2003
	1	CD stretch	2604		Kr	IR	Khriachtchev, Lignell, et al., 2006
	2	NC stretch	2157.58	s	gas	IR	Burger, Sommer, et al., 1992
	2	NC stretch	2151		Ar	IR	Kolos and Waluk, 1997 Guennoun, Couturier-Tamburelli, et al., 2003
	2	NC stretch	2146		Kr	IR	Khriachtchev, Lignell, et al., 2006
	3	CC stretch	1965.48	s	gas	IR	Burger, Sommer, et al., 1992
	3	CC stretch	1962		Ar	IR	Kolos and Waluk, 1997 Guennoun, Couturier-Tamburelli, et al., 2003
	3	CC stretch	1958		Kr	IR	Khriachtchev, Lignell, et al., 2006
	4	C-C stretch	923.58	w	gas	IR	Burger, Sommer, et al., 1992
Π	5	DCC bend	480.17		gas	IR	Burger, Sommer, et al., 1992
	6		425	T	gas	IR	Burger, Sommer, et al., 1992

Weak

Strong

Tentative assignment or approximate value

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Burger, Sommer, et al., 1992
Burger, H.; Sommer, S.; Preugschat, D.; Lentz, D., High-resolution FTIR study and rotational analyses of the ν1-ν5 bands of ethynyl isocyanide: HCCNC and DCCNC, J. Mol. Spectrosc., 1992, 156, 2, 360, https://doi.org/10.1016/0022-2852(92)90237-I . [all data]

Kolos and Waluk, 1997
Kolos, R.; Waluk, J., Matrix-isolated products of cyanoacetylene dissociation, J. Mol. Struct., 1997, 408/409, 473, https://doi.org/10.1016/S0022-2860(96)09573-7 . [all data]

Guennoun, Couturier-Tamburelli, et al., 2003
Guennoun, Z.; Couturier-Tamburelli, I.; Pietri, N.; Aycard, J.P., UV photoisomerisation of cyano and dicyanoacetylene: the first identification of CCNCH and CCCNCN isomers -- matrix isolation, infrared and ab initio study, Chem. Phys. Lett., 2003, 368, 5-6, 574, https://doi.org/10.1016/S0009-2614(02)01898-5 . [all data]

Khriachtchev, Lignell, et al., 2006
Khriachtchev, L.; Lignell, A.; Tanskanen, H.; Lundell, J.; Kiljunen, H.; Rasanen, M., Insertion of Noble Gas Atoms into Cyanoacetylene: An ab Initio and Matrix Isolation Study, J. Phys. Chem. A, 2006, 110, 42, 11876, https://doi.org/10.1021/jp063731f . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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